REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3do6_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXKPIKEIAD QLELKDDILY PYGHYIAKID HRFLKSLENH EDGKLILVTA DATA SEQUENCE VTPTPAGEGK TTTSIGLSXS LNRIGKKSIV TLREPSLGPT LGLKGGATGG DATA SEQUENCE GRSRVLPSDE INLHFTGDXH AVASAHNLLA AVLDSHIKHG NELKIDITRV DATA SEQUENCE FWKRTXDXND RALRSIVIGL GGSANGFPRE DSFIITAASE VXAILALSEN DATA SEQUENCE XKDLKERLGK IIVALDADRK IVRISDLGIQ GAXAVLLKDA INPNLVQTTE DATA SEQUENCE GTPALIHCGP FANIAHGTNS IIATKXAXKL SEYTVTEAGF GADLGAEKFI DATA SEQUENCE DFVSRVGGFY PNAAVLVATV RALKYHGGAN LKNIHEENLE ALKEGFKNLR DATA SEQUENCE VHVENLRKFN LPVVVALNRF STDTEKEIAY VVKECEKLGV RVAVSEVFKK DATA SEQUENCE GSEGGVELAK AVAEAAKDVE PAYLYEXNDP VEKKIEILAK EIYRAGRVEF DATA SEQUENCE SDTAKNALKF IKKHGFDELP VIVAKTPKSI SHDPSLRGAP EGYTFVVSDL DATA SEQUENCE FVSAGAGFVV ALSGDINLXP GLPKKPNALN XDVDDSGNIV GVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.873 174.900 -0.045 0.000 0.946 0 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 3 P HA -0.002 nan 4.420 nan 0.000 0.265 3 P C 0.568 177.926 177.300 0.097 0.000 1.187 3 P CA -0.338 62.827 63.100 0.108 0.000 0.766 3 P CB 0.437 32.127 31.700 -0.015 0.000 0.820 4 I N 3.595 124.203 120.570 0.063 0.000 2.454 4 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 4 I C 2.244 178.384 176.117 0.037 0.000 1.156 4 I CA 1.756 63.105 61.300 0.081 0.000 1.433 4 I CB -0.566 37.485 38.000 0.084 0.000 1.082 4 I HN 0.236 nan 8.210 nan 0.000 0.432 5 K N -0.416 119.989 120.400 0.008 0.000 2.209 5 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 5 K C 1.799 178.401 176.600 0.004 0.000 1.048 5 K CA 1.728 58.011 56.287 -0.007 0.000 0.940 5 K CB -1.042 31.445 32.500 -0.022 0.000 0.729 5 K HN 0.641 nan 8.250 nan 0.000 0.451 6 E N -0.228 119.984 120.200 0.021 0.000 2.152 6 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 6 E C 2.009 178.628 176.600 0.032 0.000 0.983 6 E CA 1.154 57.570 56.400 0.026 0.000 0.818 6 E CB -0.026 29.697 29.700 0.038 0.000 0.758 6 E HN 0.376 nan 8.360 nan 0.000 0.467 7 I N 0.776 121.372 120.570 0.043 0.000 2.286 7 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 7 I C 2.457 178.593 176.117 0.032 0.000 1.104 7 I CA 0.869 62.196 61.300 0.046 0.000 1.397 7 I CB -1.351 36.687 38.000 0.064 0.000 1.072 7 I HN 0.011 nan 8.210 nan 0.000 0.417 8 A N 0.289 123.120 122.820 0.019 0.000 1.933 8 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 8 A C 2.157 179.737 177.584 -0.006 0.000 1.175 8 A CA 1.882 53.917 52.037 -0.003 0.000 0.628 8 A CB -0.687 18.295 19.000 -0.031 0.000 0.814 8 A HN 0.408 nan 8.150 nan 0.000 0.444 9 D N -0.747 119.653 120.400 -0.001 0.000 2.144 9 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 9 D C 2.054 178.362 176.300 0.014 0.000 0.978 9 D CA 1.268 55.269 54.000 0.001 0.000 0.833 9 D CB -0.085 40.715 40.800 0.001 0.000 0.961 9 D HN 0.610 nan 8.370 nan 0.000 0.470 10 Q N -0.168 119.645 119.800 0.022 0.000 2.197 10 Q HA -0.119 4.221 4.340 -0.000 0.000 0.207 10 Q C 1.903 177.925 176.000 0.036 0.000 0.984 10 Q CA 0.813 56.633 55.803 0.029 0.000 0.869 10 Q CB 0.098 28.856 28.738 0.033 0.000 0.906 10 Q HN 0.358 nan 8.270 nan 0.000 0.426 11 L N -0.003 121.242 121.223 0.036 0.000 2.693 11 L HA 0.089 4.429 4.340 -0.000 0.000 0.235 11 L C -0.204 176.700 176.870 0.057 0.000 1.127 11 L CA -0.177 54.694 54.840 0.052 0.000 0.914 11 L CB 0.497 42.589 42.059 0.056 0.000 1.193 11 L HN 0.074 nan 8.230 nan 0.000 0.502 12 E N 0.411 120.632 120.200 0.035 0.000 2.637 12 E HA -0.192 4.158 4.350 -0.000 0.000 0.265 12 E C -0.326 176.271 176.600 -0.006 0.000 1.073 12 E CA 0.666 57.083 56.400 0.029 0.000 0.778 12 E CB -2.027 27.712 29.700 0.065 0.000 1.362 12 E HN 0.425 nan 8.360 nan 0.000 0.413 13 L N 0.761 121.952 121.223 -0.053 0.000 2.290 13 L HA 0.243 4.583 4.340 -0.000 0.000 0.284 13 L C 1.056 177.816 176.870 -0.183 0.000 1.078 13 L CA -0.346 54.390 54.840 -0.173 0.000 0.815 13 L CB 0.697 42.656 42.059 -0.168 0.000 1.162 13 L HN -0.275 nan 8.230 nan 0.000 0.435 14 K N 1.725 121.970 120.400 -0.257 0.000 2.087 14 K HA 0.178 4.498 4.320 -0.000 0.000 0.255 14 K C 0.328 176.791 176.600 -0.229 0.000 0.988 14 K CA -0.651 55.517 56.287 -0.199 0.000 0.915 14 K CB 1.213 33.610 32.500 -0.172 0.000 1.043 14 K HN 0.422 nan 8.250 nan 0.000 0.457 15 D N 1.294 121.593 120.400 -0.167 0.000 2.264 15 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 15 D C 1.018 177.191 176.300 -0.213 0.000 0.966 15 D CA 1.069 54.967 54.000 -0.171 0.000 0.864 15 D CB 0.129 40.865 40.800 -0.108 0.000 0.933 15 D HN 0.562 nan 8.370 nan 0.000 0.499 16 D N 0.860 121.143 120.400 -0.194 0.000 2.264 16 D HA -0.138 4.501 4.640 -0.000 0.000 0.208 16 D C 1.608 177.752 176.300 -0.260 0.000 0.966 16 D CA 0.484 54.384 54.000 -0.167 0.000 0.864 16 D CB -0.347 40.389 40.800 -0.107 0.000 0.933 16 D HN 0.363 nan 8.370 nan 0.000 0.499 17 I N -2.700 117.633 120.570 -0.394 0.000 4.009 17 I HA 0.333 4.503 4.170 -0.000 0.000 0.331 17 I C -0.177 175.509 176.117 -0.719 0.000 1.462 17 I CA -0.762 60.231 61.300 -0.513 0.000 1.117 17 I CB -0.016 37.698 38.000 -0.477 0.000 1.091 17 I HN -0.174 nan 8.210 nan 0.000 0.410 18 L N 1.723 122.528 121.223 -0.697 0.000 2.313 18 L HA 0.473 4.813 4.340 -0.000 0.000 0.283 18 L C -1.313 175.195 176.870 -0.603 0.000 1.013 18 L CA -0.687 53.820 54.840 -0.556 0.000 0.816 18 L CB 1.412 43.302 42.059 -0.281 0.000 1.236 18 L HN 0.043 nan 8.230 nan 0.000 0.419 19 Y N 4.125 124.421 120.300 -0.008 0.000 2.464 19 Y HA 0.345 4.895 4.550 -0.000 0.000 0.326 19 Y C -2.070 173.826 175.900 -0.008 0.000 0.969 19 Y CA -3.327 54.759 58.100 -0.024 0.000 1.270 19 Y CB 0.520 38.985 38.460 0.008 0.000 1.103 19 Y HN 0.369 nan 8.280 nan 0.000 0.491 20 P HA 0.068 nan 4.420 nan 0.000 0.271 20 P C -1.171 176.071 177.300 -0.097 0.000 1.218 20 P CA -0.071 63.047 63.100 0.031 0.000 0.780 20 P CB 0.949 32.638 31.700 -0.018 0.000 0.901 21 Y N 1.262 121.553 120.300 -0.014 0.000 2.686 21 Y HA 0.465 5.015 4.550 -0.000 0.000 0.331 21 Y C 1.399 177.275 175.900 -0.040 0.000 0.996 21 Y CA 0.423 58.508 58.100 -0.025 0.000 1.293 21 Y CB 0.841 39.284 38.460 -0.028 0.000 1.092 21 Y HN 0.843 nan 8.280 nan 0.000 0.524 22 G N 1.252 110.024 108.800 -0.046 0.000 2.562 22 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.250 22 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.250 22 G C 0.355 175.098 174.900 -0.262 0.000 1.269 22 G CA 0.420 45.387 45.100 -0.222 0.000 0.919 22 G HN 0.775 nan 8.290 nan 0.000 0.574 23 H N -1.085 117.881 119.070 -0.172 0.000 2.592 23 H HA 0.316 4.872 4.556 -0.000 0.000 0.265 23 H C 1.301 176.238 175.328 -0.652 0.000 0.955 23 H CA 1.015 56.768 56.048 -0.492 0.000 1.175 23 H CB 0.378 29.674 29.762 -0.777 0.000 1.433 23 H HN 0.383 nan 8.280 nan 0.000 0.537 24 Y N -0.181 120.219 120.300 0.167 0.000 2.588 24 Y HA 0.380 4.930 4.550 -0.000 0.000 0.247 24 Y C -0.263 175.719 175.900 0.137 0.000 1.157 24 Y CA -0.364 57.818 58.100 0.137 0.000 1.215 24 Y CB 0.831 39.367 38.460 0.126 0.000 1.245 24 Y HN -0.034 nan 8.280 nan 0.000 0.534 25 I N -0.050 120.659 120.570 0.232 0.000 2.722 25 I HA 0.773 4.943 4.170 -0.000 0.000 0.295 25 I C -0.743 175.477 176.117 0.171 0.000 1.161 25 I CA -1.238 60.185 61.300 0.207 0.000 1.032 25 I CB 2.301 40.431 38.000 0.217 0.000 1.244 25 I HN -0.111 nan 8.210 nan 0.000 0.421 26 A N 4.474 127.373 122.820 0.131 0.000 2.549 26 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 26 A C -1.259 176.384 177.584 0.098 0.000 1.061 26 A CA -0.803 51.328 52.037 0.156 0.000 0.690 26 A CB 1.738 20.785 19.000 0.078 0.000 1.287 26 A HN 0.643 nan 8.150 nan 0.000 0.402 27 K N 0.958 121.480 120.400 0.203 0.000 2.174 27 K HA 0.563 4.883 4.320 -0.000 0.000 0.275 27 K C -0.960 175.705 176.600 0.108 0.000 1.015 27 K CA -0.041 56.337 56.287 0.151 0.000 0.933 27 K CB 1.103 33.780 32.500 0.296 0.000 1.025 27 K HN 0.575 nan 8.250 nan 0.000 0.463 28 I N 1.757 122.358 120.570 0.051 0.000 2.354 28 I HA 0.048 4.218 4.170 -0.000 0.000 0.292 28 I C 0.308 176.494 176.117 0.115 0.000 0.989 28 I CA -0.727 60.576 61.300 0.004 0.000 1.188 28 I CB 1.256 39.266 38.000 0.016 0.000 1.342 28 I HN 0.511 nan 8.210 nan 0.000 0.457 29 D N 6.395 126.853 120.400 0.097 0.000 2.451 29 D HA -0.110 4.530 4.640 -0.000 0.000 0.254 29 D C 1.557 177.962 176.300 0.174 0.000 1.204 29 D CA 0.300 54.436 54.000 0.227 0.000 0.896 29 D CB 0.700 41.608 40.800 0.180 0.000 1.136 29 D HN 0.620 nan 8.370 nan 0.000 0.499 30 H N 4.336 123.500 119.070 0.157 0.000 2.489 30 H HA -0.079 4.477 4.556 -0.000 0.000 0.293 30 H C 1.102 176.511 175.328 0.135 0.000 1.066 30 H CA 0.746 56.875 56.048 0.135 0.000 1.305 30 H CB 0.021 29.857 29.762 0.124 0.000 1.386 30 H HN 0.413 nan 8.280 nan 0.000 0.551 31 R N -0.553 119.683 120.500 -0.439 0.000 2.280 31 R HA -0.034 4.306 4.340 -0.000 0.000 0.207 31 R C 1.727 178.016 176.300 -0.019 0.000 1.043 31 R CA 0.640 56.564 56.100 -0.292 0.000 1.006 31 R CB -0.316 29.817 30.300 -0.280 0.000 0.885 31 R HN 0.210 nan 8.270 nan 0.000 0.467 32 F N 1.277 121.163 119.950 -0.106 0.000 2.293 32 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 32 F C 1.775 177.538 175.800 -0.062 0.000 1.086 32 F CA 0.798 58.754 58.000 -0.074 0.000 1.375 32 F CB -0.141 38.819 39.000 -0.066 0.000 1.045 32 F HN -0.040 nan 8.300 nan 0.000 0.516 33 L N 0.901 122.067 121.223 -0.095 0.000 2.046 33 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 33 L C 2.320 179.080 176.870 -0.183 0.000 1.077 33 L CA 2.064 56.809 54.840 -0.159 0.000 0.747 33 L CB -1.100 40.960 42.059 0.002 0.000 0.896 33 L HN 0.089 nan 8.230 nan 0.000 0.432 34 K N -0.781 119.552 120.400 -0.111 0.000 2.148 34 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 34 K C 2.009 178.533 176.600 -0.127 0.000 1.050 34 K CA 1.551 57.789 56.287 -0.082 0.000 0.942 34 K CB -0.334 32.145 32.500 -0.036 0.000 0.724 34 K HN 0.356 nan 8.250 nan 0.000 0.446 35 S N 0.384 115.967 115.700 -0.195 0.000 2.399 35 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 35 S C 1.232 175.641 174.600 -0.318 0.000 1.022 35 S CA 1.042 59.114 58.200 -0.214 0.000 0.983 35 S CB -0.155 62.919 63.200 -0.211 0.000 0.803 35 S HN 0.296 nan 8.310 nan 0.000 0.480 36 L N 1.673 122.612 121.223 -0.473 0.000 2.629 36 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 36 L C 2.063 178.816 176.870 -0.195 0.000 1.151 36 L CA 0.090 54.585 54.840 -0.574 0.000 0.924 36 L CB -0.404 41.241 42.059 -0.690 0.000 1.137 36 L HN 0.437 nan 8.230 nan 0.000 0.457 37 E N -0.577 119.565 120.200 -0.096 0.000 2.409 37 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 37 E C 0.902 177.527 176.600 0.043 0.000 1.024 37 E CA 0.801 57.189 56.400 -0.020 0.000 0.861 37 E CB -0.008 29.681 29.700 -0.018 0.000 0.788 37 E HN 0.439 nan 8.360 nan 0.000 0.521 38 N N 0.155 118.924 118.700 0.115 0.000 2.236 38 N HA 0.047 4.787 4.740 -0.000 0.000 0.196 38 N C -0.539 175.037 175.510 0.110 0.000 1.114 38 N CA 0.112 53.224 53.050 0.104 0.000 0.859 38 N CB 0.258 38.790 38.487 0.076 0.000 0.982 38 N HN 0.224 nan 8.380 nan 0.000 0.493 39 H N 0.444 119.489 119.070 -0.042 0.000 2.551 39 H HA 0.125 4.681 4.556 -0.000 0.000 0.358 39 H C 0.441 175.753 175.328 -0.027 0.000 1.151 39 H CA -0.475 55.551 56.048 -0.037 0.000 1.374 39 H CB 0.722 30.451 29.762 -0.054 0.000 1.473 39 H HN -0.026 nan 8.280 nan 0.000 0.574 40 E N 1.728 121.970 120.200 0.071 0.000 2.331 40 E HA 0.109 4.459 4.350 -0.000 0.000 0.272 40 E C -0.675 175.948 176.600 0.039 0.000 1.036 40 E CA -1.026 55.394 56.400 0.034 0.000 0.864 40 E CB 0.611 30.312 29.700 0.002 0.000 1.035 40 E HN 0.553 nan 8.360 nan 0.000 0.408 41 D N 1.743 122.159 120.400 0.027 0.000 2.302 41 D HA 0.388 5.027 4.640 -0.000 0.000 0.248 41 D C 0.689 176.981 176.300 -0.014 0.000 1.094 41 D CA 0.365 54.376 54.000 0.017 0.000 0.897 41 D CB 1.417 42.238 40.800 0.035 0.000 1.200 41 D HN 0.692 nan 8.370 nan 0.000 0.429 42 G N 1.143 109.921 108.800 -0.037 0.000 2.508 42 G HA2 0.251 4.211 3.960 -0.000 0.000 0.278 42 G HA3 0.251 4.211 3.960 -0.000 0.000 0.278 42 G C -0.052 174.777 174.900 -0.118 0.000 1.389 42 G CA -0.384 44.656 45.100 -0.100 0.000 1.050 42 G HN 0.205 nan 8.290 nan 0.000 0.522 43 K N -1.072 119.190 120.400 -0.230 0.000 2.218 43 K HA 0.471 4.790 4.320 -0.000 0.000 0.276 43 K C -0.608 175.935 176.600 -0.095 0.000 1.022 43 K CA -0.307 55.862 56.287 -0.196 0.000 0.946 43 K CB 1.397 33.666 32.500 -0.385 0.000 1.000 43 K HN 0.210 nan 8.250 nan 0.000 0.468 44 L N 4.526 125.728 121.223 -0.035 0.000 2.305 44 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 44 L C -1.444 175.419 176.870 -0.012 0.000 1.013 44 L CA -0.415 54.403 54.840 -0.037 0.000 0.819 44 L CB 0.922 42.940 42.059 -0.067 0.000 1.227 44 L HN 0.479 nan 8.230 nan 0.000 0.417 45 I N 6.249 126.808 120.570 -0.019 0.000 2.355 45 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 45 I C -0.431 175.598 176.117 -0.147 0.000 0.999 45 I CA -0.765 60.514 61.300 -0.035 0.000 1.163 45 I CB 1.298 39.316 38.000 0.029 0.000 1.316 45 I HN 0.477 nan 8.210 nan 0.000 0.454 46 L N 8.642 129.736 121.223 -0.215 0.000 2.281 46 L HA 0.429 4.769 4.340 -0.000 0.000 0.285 46 L C -0.409 176.315 176.870 -0.243 0.000 1.074 46 L CA -0.016 54.598 54.840 -0.376 0.000 0.817 46 L CB 1.216 42.978 42.059 -0.495 0.000 1.168 46 L HN 0.305 nan 8.230 nan 0.000 0.434 47 V N 5.324 125.097 119.914 -0.235 0.000 2.398 47 V HA 0.676 4.796 4.120 -0.000 0.000 0.286 47 V C 0.311 176.313 176.094 -0.153 0.000 1.026 47 V CA -0.230 61.978 62.300 -0.153 0.000 0.868 47 V CB 1.109 32.864 31.823 -0.114 0.000 0.982 47 V HN 0.955 nan 8.190 nan 0.000 0.443 48 T N 2.793 117.276 114.554 -0.119 0.000 2.618 48 T HA 0.920 5.270 4.350 -0.000 0.000 0.286 48 T C -1.168 173.472 174.700 -0.101 0.000 1.027 48 T CA 0.207 62.243 62.100 -0.107 0.000 1.063 48 T CB 2.031 70.838 68.868 -0.101 0.000 1.440 48 T HN 1.186 nan 8.240 nan 0.000 0.505 49 A N 0.404 123.145 122.820 -0.133 0.000 2.610 49 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 49 A C -0.183 177.222 177.584 -0.298 0.000 1.086 49 A CA -0.177 51.771 52.037 -0.149 0.000 0.677 49 A CB 0.488 19.433 19.000 -0.092 0.000 1.278 49 A HN 1.609 nan 8.150 nan 0.000 0.414 50 V N -1.008 118.761 119.914 -0.242 0.000 3.432 50 V HA 0.466 4.586 4.120 -0.000 0.000 0.304 50 V C 0.593 176.562 176.094 -0.208 0.000 1.107 50 V CA 0.228 62.357 62.300 -0.286 0.000 1.153 50 V CB -0.236 31.555 31.823 -0.053 0.000 1.072 50 V HN 0.976 nan 8.190 nan 0.000 0.485 51 T N 4.531 119.046 114.554 -0.064 0.000 2.831 51 T HA 0.178 4.528 4.350 -0.000 0.000 0.291 51 T C -2.233 172.580 174.700 0.190 0.000 0.981 51 T CA 0.074 62.230 62.100 0.094 0.000 1.174 51 T CB -0.010 68.920 68.868 0.104 0.000 0.929 51 T HN 0.803 nan 8.240 nan 0.000 0.532 52 P HA 0.143 nan 4.420 nan 0.000 0.266 52 P C 0.065 177.336 177.300 -0.049 0.000 1.195 52 P CA -0.143 62.964 63.100 0.013 0.000 0.768 52 P CB 0.368 32.071 31.700 0.003 0.000 0.838 53 T N -0.472 113.969 114.554 -0.189 0.000 2.916 53 T HA 0.541 4.891 4.350 -0.000 0.000 0.292 53 T C -2.247 172.191 174.700 -0.437 0.000 1.064 53 T CA -2.246 59.554 62.100 -0.500 0.000 1.011 53 T CB 1.357 69.760 68.868 -0.776 0.000 1.152 53 T HN 0.018 nan 8.240 nan 0.000 0.510 54 P HA 0.188 nan 4.420 nan 0.000 0.234 54 P C 1.230 178.359 177.300 -0.285 0.000 1.167 54 P CA 0.467 63.369 63.100 -0.329 0.000 0.763 54 P CB -0.219 31.305 31.700 -0.293 0.000 0.835 55 A N -0.191 122.418 122.820 -0.352 0.000 2.067 55 A HA 0.390 4.710 4.320 -0.000 0.000 0.217 55 A C 1.227 178.648 177.584 -0.271 0.000 1.156 55 A CA 0.812 52.675 52.037 -0.289 0.000 0.683 55 A CB -1.237 17.590 19.000 -0.287 0.000 0.808 55 A HN 0.295 nan 8.150 nan 0.000 0.455 56 G N -0.705 107.956 108.800 -0.232 0.000 3.129 56 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 56 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 56 G C -0.184 174.615 174.900 -0.169 0.000 0.989 56 G CA 0.167 45.161 45.100 -0.177 0.000 0.810 56 G HN 0.289 nan 8.290 nan 0.000 0.539 57 E N 0.657 120.789 120.200 -0.113 0.000 2.473 57 E HA 0.403 4.753 4.350 -0.000 0.000 0.204 57 E C 1.906 178.473 176.600 -0.055 0.000 0.994 57 E CA 1.146 57.496 56.400 -0.084 0.000 0.945 57 E CB 0.456 30.120 29.700 -0.060 0.000 0.990 57 E HN 2.142 nan 8.360 nan 0.000 0.493 58 G N 2.031 110.801 108.800 -0.050 0.000 2.246 58 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.273 58 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.273 58 G C 0.944 175.840 174.900 -0.006 0.000 1.055 58 G CA 0.819 45.908 45.100 -0.017 0.000 0.851 58 G HN 0.265 nan 8.290 nan 0.000 0.500 59 K N -0.637 119.748 120.400 -0.025 0.000 2.032 59 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 59 K C 2.502 179.085 176.600 -0.027 0.000 1.048 59 K CA 2.108 58.376 56.287 -0.031 0.000 0.927 59 K CB -0.347 32.125 32.500 -0.047 0.000 0.712 59 K HN 0.395 nan 8.250 nan 0.000 0.441 60 T N 0.431 114.968 114.554 -0.028 0.000 2.746 60 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 60 T C 1.801 176.497 174.700 -0.007 0.000 1.039 60 T CA 1.837 63.921 62.100 -0.027 0.000 1.142 60 T CB -0.409 68.438 68.868 -0.035 0.000 0.866 60 T HN 0.360 nan 8.240 nan 0.000 0.444 61 T N 1.877 116.442 114.554 0.020 0.000 2.759 61 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 61 T C 2.254 176.976 174.700 0.036 0.000 1.042 61 T CA 1.633 63.764 62.100 0.052 0.000 1.140 61 T CB -0.590 68.357 68.868 0.133 0.000 0.864 61 T HN 0.423 nan 8.240 nan 0.000 0.455 62 T N 1.627 116.196 114.554 0.024 0.000 2.812 62 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 62 T C 2.457 177.152 174.700 -0.008 0.000 1.042 62 T CA 1.165 63.273 62.100 0.012 0.000 1.140 62 T CB -0.362 68.509 68.868 0.005 0.000 0.870 62 T HN 0.297 nan 8.240 nan 0.000 0.445 63 S N 1.462 117.150 115.700 -0.019 0.000 2.365 63 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 63 S C 2.040 176.627 174.600 -0.021 0.000 1.039 63 S CA 1.177 59.359 58.200 -0.029 0.000 1.033 63 S CB -0.498 62.679 63.200 -0.040 0.000 0.887 63 S HN 0.413 nan 8.310 nan 0.000 0.447 64 I N 1.307 121.869 120.570 -0.015 0.000 2.179 64 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 64 I C 2.713 178.822 176.117 -0.013 0.000 1.088 64 I CA 1.209 62.502 61.300 -0.013 0.000 1.357 64 I CB -0.846 37.145 38.000 -0.015 0.000 1.051 64 I HN 0.376 nan 8.210 nan 0.000 0.409 65 G N 0.968 109.763 108.800 -0.009 0.000 2.418 65 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 65 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 65 G C 1.658 176.547 174.900 -0.018 0.000 1.158 65 G CA 0.629 45.724 45.100 -0.009 0.000 0.771 65 G HN 0.264 nan 8.290 nan 0.000 0.545 66 L N 1.241 122.451 121.223 -0.023 0.000 2.012 66 L HA 0.109 4.449 4.340 -0.000 0.000 0.210 66 L C 1.946 178.789 176.870 -0.045 0.000 1.073 66 L CA 1.494 56.310 54.840 -0.039 0.000 0.748 66 L CB -0.901 41.133 42.059 -0.042 0.000 0.891 66 L HN 0.206 nan 8.230 nan 0.000 0.431 70 L N 2.721 123.892 121.223 -0.087 0.000 2.017 70 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 70 L C 2.192 179.024 176.870 -0.063 0.000 1.073 70 L CA 1.261 56.022 54.840 -0.131 0.000 0.745 70 L CB -0.503 41.438 42.059 -0.198 0.000 0.894 70 L HN 0.346 nan 8.230 nan 0.000 0.432 71 N N -0.295 118.391 118.700 -0.025 0.000 2.104 71 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 71 N C 1.975 177.482 175.510 -0.006 0.000 1.024 71 N CA 0.986 54.036 53.050 0.001 0.000 0.853 71 N CB -0.322 38.171 38.487 0.010 0.000 1.008 71 N HN 0.235 nan 8.380 nan 0.000 0.424 72 R N 2.067 122.557 120.500 -0.016 0.000 2.105 72 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 72 R C 1.899 178.190 176.300 -0.015 0.000 1.135 72 R CA 0.925 57.016 56.100 -0.015 0.000 0.967 72 R CB -0.416 29.873 30.300 -0.019 0.000 0.861 72 R HN 0.427 nan 8.270 nan 0.000 0.442 73 I N -3.103 117.451 120.570 -0.026 0.000 3.810 73 I HA 0.308 4.478 4.170 -0.000 0.000 0.322 73 I C 0.731 176.841 176.117 -0.011 0.000 1.288 73 I CA 0.682 61.968 61.300 -0.024 0.000 1.143 73 I CB 0.243 38.218 38.000 -0.041 0.000 1.012 73 I HN 0.205 nan 8.210 nan 0.000 0.423 74 G N 1.696 110.496 108.800 -0.001 0.000 2.132 74 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.228 74 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.228 74 G C -0.081 174.843 174.900 0.039 0.000 1.000 74 G CA -0.251 44.860 45.100 0.018 0.000 0.693 74 G HN 0.541 nan 8.290 nan 0.000 0.515 75 K N 0.611 121.034 120.400 0.039 0.000 2.367 75 K HA 0.336 4.656 4.320 -0.000 0.000 0.263 75 K C 0.246 176.922 176.600 0.126 0.000 1.000 75 K CA -0.804 55.549 56.287 0.110 0.000 0.891 75 K CB 1.742 34.302 32.500 0.100 0.000 1.117 75 K HN 0.147 nan 8.250 nan 0.000 0.443 76 K N 2.176 122.656 120.400 0.133 0.000 2.472 76 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 76 K C -0.620 176.066 176.600 0.143 0.000 1.028 76 K CA 0.566 56.917 56.287 0.106 0.000 1.045 76 K CB 0.543 33.092 32.500 0.081 0.000 0.902 76 K HN 0.518 nan 8.250 nan 0.000 0.478 77 S N 4.591 120.353 115.700 0.104 0.000 2.540 77 S HA 0.587 5.057 4.470 -0.000 0.000 0.275 77 S C -1.021 173.621 174.600 0.069 0.000 1.123 77 S CA -0.866 57.399 58.200 0.108 0.000 0.907 77 S CB 0.788 64.041 63.200 0.087 0.000 1.081 77 S HN 0.535 nan 8.310 nan 0.000 0.476 78 I N 3.231 123.841 120.570 0.066 0.000 2.509 78 I HA 0.500 4.670 4.170 -0.000 0.000 0.293 78 I C -0.376 175.766 176.117 0.041 0.000 1.020 78 I CA -1.039 60.292 61.300 0.051 0.000 1.088 78 I CB 2.033 40.065 38.000 0.053 0.000 1.267 78 I HN 0.398 nan 8.210 nan 0.000 0.430 79 V N 5.615 125.549 119.914 0.033 0.000 2.481 79 V HA 0.571 4.690 4.120 -0.000 0.000 0.286 79 V C 0.036 176.149 176.094 0.032 0.000 1.042 79 V CA 0.029 62.342 62.300 0.021 0.000 0.928 79 V CB 1.865 33.693 31.823 0.008 0.000 0.986 79 V HN 0.882 nan 8.190 nan 0.000 0.462 80 T N 6.085 120.655 114.554 0.027 0.000 2.807 80 T HA 0.761 5.111 4.350 -0.000 0.000 0.279 80 T C -0.872 173.852 174.700 0.039 0.000 0.993 80 T CA -0.642 61.488 62.100 0.050 0.000 0.970 80 T CB 1.220 70.126 68.868 0.064 0.000 0.950 80 T HN 0.552 nan 8.240 nan 0.000 0.441 81 L N 1.685 122.942 121.223 0.055 0.000 2.376 81 L HA 0.617 4.957 4.340 -0.000 0.000 0.258 81 L C 0.371 177.273 176.870 0.053 0.000 1.013 81 L CA -1.436 53.423 54.840 0.031 0.000 0.822 81 L CB 2.443 44.505 42.059 0.004 0.000 1.388 81 L HN 0.564 nan 8.230 nan 0.000 0.413 82 R N 0.836 121.347 120.500 0.019 0.000 2.594 82 R HA 0.138 4.478 4.340 -0.000 0.000 0.272 82 R C -0.208 176.101 176.300 0.016 0.000 1.074 82 R CA -0.385 55.728 56.100 0.021 0.000 1.105 82 R CB 0.814 31.101 30.300 -0.023 0.000 1.008 82 R HN 0.511 nan 8.270 nan 0.000 0.472 83 E N 4.488 124.721 120.200 0.055 0.000 2.290 83 E HA 0.101 4.451 4.350 -0.000 0.000 0.277 83 E C -1.957 174.639 176.600 -0.006 0.000 1.035 83 E CA -1.847 54.576 56.400 0.039 0.000 0.873 83 E CB 0.699 30.495 29.700 0.160 0.000 1.029 83 E HN 0.248 nan 8.360 nan 0.000 0.419 84 P HA 0.025 nan 4.420 nan 0.000 0.271 84 P C -0.809 176.476 177.300 -0.025 0.000 1.218 84 P CA -0.306 62.764 63.100 -0.050 0.000 0.780 84 P CB 0.989 32.643 31.700 -0.077 0.000 0.901 85 S N 1.457 117.153 115.700 -0.008 0.000 2.572 85 S HA 0.017 4.487 4.470 -0.000 0.000 0.279 85 S C 1.368 175.959 174.600 -0.015 0.000 1.341 85 S CA -0.507 57.697 58.200 0.007 0.000 1.043 85 S CB 0.230 63.460 63.200 0.049 0.000 0.887 85 S HN 0.484 nan 8.310 nan 0.000 0.516 86 L N 4.330 125.541 121.223 -0.020 0.000 2.072 86 L HA 0.133 4.473 4.340 -0.000 0.000 0.205 86 L C 2.191 179.052 176.870 -0.014 0.000 1.079 86 L CA 2.202 57.023 54.840 -0.031 0.000 0.752 86 L CB -1.562 40.478 42.059 -0.033 0.000 0.906 86 L HN 0.807 nan 8.230 nan 0.000 0.436 87 G N 0.201 109.005 108.800 0.006 0.000 2.553 87 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 87 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 87 G C -0.571 174.331 174.900 0.005 0.000 1.195 87 G CA 1.114 46.222 45.100 0.013 0.000 0.779 87 G HN 0.396 nan 8.290 nan 0.000 0.577 88 P HA 0.000 nan 4.420 nan 0.000 0.220 88 P C 1.921 179.213 177.300 -0.014 0.000 1.148 88 P CA 1.459 64.556 63.100 -0.003 0.000 0.803 88 P CB -0.158 31.536 31.700 -0.009 0.000 0.782 89 T N -0.626 113.916 114.554 -0.020 0.000 2.915 89 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 89 T C 1.522 176.210 174.700 -0.021 0.000 1.071 89 T CA 0.886 62.970 62.100 -0.026 0.000 1.132 89 T CB -0.662 68.183 68.868 -0.039 0.000 0.878 89 T HN 0.106 nan 8.240 nan 0.000 0.479 90 L N 0.248 121.461 121.223 -0.017 0.000 2.395 90 L HA 0.165 4.505 4.340 -0.000 0.000 0.218 90 L C 2.669 179.534 176.870 -0.009 0.000 1.130 90 L CA 0.672 55.505 54.840 -0.012 0.000 0.826 90 L CB -0.418 41.637 42.059 -0.007 0.000 0.941 90 L HN 0.305 nan 8.230 nan 0.000 0.451 91 G N -0.449 108.345 108.800 -0.009 0.000 2.497 91 G HA2 0.214 4.174 3.960 -0.000 0.000 0.210 91 G HA3 0.214 4.174 3.960 -0.000 0.000 0.210 91 G C 0.505 175.399 174.900 -0.010 0.000 1.177 91 G CA 0.025 45.120 45.100 -0.008 0.000 0.822 91 G HN 0.072 nan 8.290 nan 0.000 0.550 92 L N 0.154 121.370 121.223 -0.013 0.000 2.472 92 L HA 0.365 4.705 4.340 -0.000 0.000 0.260 92 L C -0.816 176.044 176.870 -0.017 0.000 0.963 92 L CA -0.925 53.907 54.840 -0.015 0.000 0.829 92 L CB 2.979 45.028 42.059 -0.017 0.000 1.348 92 L HN -0.011 nan 8.230 nan 0.000 0.408 93 K N 1.301 121.692 120.400 -0.014 0.000 2.489 93 K HA 0.350 4.670 4.320 -0.000 0.000 0.278 93 K C 0.170 176.760 176.600 -0.015 0.000 1.000 93 K CA 0.178 56.457 56.287 -0.013 0.000 1.012 93 K CB 0.806 33.303 32.500 -0.004 0.000 0.903 93 K HN 0.735 nan 8.250 nan 0.000 0.485 94 G N 0.149 108.937 108.800 -0.019 0.000 3.140 94 G HA2 0.475 4.435 3.960 -0.000 0.000 0.271 94 G HA3 0.475 4.435 3.960 -0.000 0.000 0.271 94 G C 0.054 174.945 174.900 -0.016 0.000 1.370 94 G CA -0.715 44.371 45.100 -0.023 0.000 1.014 94 G HN 0.592 nan 8.290 nan 0.000 0.541 95 G N -1.005 107.783 108.800 -0.021 0.000 3.575 95 G HA2 0.417 4.376 3.960 -0.000 0.000 0.273 95 G HA3 0.417 4.376 3.960 -0.000 0.000 0.273 95 G C 1.153 176.038 174.900 -0.024 0.000 1.053 95 G CA 1.283 46.378 45.100 -0.008 0.000 0.803 95 G HN 0.939 nan 8.290 nan 0.000 0.528 96 A N 0.586 123.379 122.820 -0.045 0.000 2.168 96 A HA 0.128 4.448 4.320 -0.000 0.000 0.215 96 A C 2.167 179.709 177.584 -0.069 0.000 1.152 96 A CA 1.841 53.841 52.037 -0.062 0.000 0.716 96 A CB -0.231 18.725 19.000 -0.074 0.000 0.794 96 A HN 0.445 nan 8.150 nan 0.000 0.465 97 T N -4.284 110.232 114.554 -0.064 0.000 3.174 97 T HA 0.493 4.843 4.350 -0.000 0.000 0.269 97 T C 0.974 175.646 174.700 -0.046 0.000 1.017 97 T CA 0.851 62.907 62.100 -0.074 0.000 0.899 97 T CB -0.183 68.624 68.868 -0.101 0.000 1.077 97 T HN 1.771 nan 8.240 nan 0.000 0.552 98 G N 0.120 108.908 108.800 -0.020 0.000 2.542 98 G HA2 0.345 4.305 3.960 -0.000 0.000 0.235 98 G HA3 0.345 4.305 3.960 -0.000 0.000 0.235 98 G C -0.057 174.873 174.900 0.050 0.000 1.286 98 G CA -0.373 44.734 45.100 0.012 0.000 0.904 98 G HN 1.649 nan 8.290 nan 0.000 0.577 99 G N -2.667 106.164 108.800 0.053 0.000 2.547 99 G HA2 0.769 4.729 3.960 -0.000 0.000 0.291 99 G HA3 0.769 4.729 3.960 -0.000 0.000 0.291 99 G C 1.003 175.690 174.900 -0.355 0.000 1.471 99 G CA 1.279 46.427 45.100 0.080 0.000 0.798 99 G HN 2.731 nan 8.290 nan 0.000 0.504 100 G N 0.492 108.843 108.800 -0.749 0.000 2.622 100 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.307 100 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.307 100 G C 0.973 175.530 174.900 -0.572 0.000 1.226 100 G CA 0.855 45.204 45.100 -1.252 0.000 0.997 100 G HN 1.005 nan 8.290 nan 0.000 0.551 101 R N 0.565 120.773 120.500 -0.487 0.000 2.356 101 R HA 0.397 4.737 4.340 -0.000 0.000 0.234 101 R C 0.881 177.084 176.300 -0.162 0.000 0.929 101 R CA 0.776 56.731 56.100 -0.242 0.000 1.084 101 R CB 0.292 30.488 30.300 -0.174 0.000 1.105 101 R HN 0.309 nan 8.270 nan 0.000 0.515 102 S N 0.893 116.492 115.700 -0.168 0.000 2.128 102 S HA 0.343 4.813 4.470 -0.000 0.000 0.157 102 S C -0.622 173.940 174.600 -0.063 0.000 1.650 102 S CA -0.649 57.502 58.200 -0.082 0.000 1.269 102 S CB 0.104 63.282 63.200 -0.035 0.000 1.227 102 S HN 0.155 nan 8.310 nan 0.000 0.405 103 R N 0.699 121.156 120.500 -0.071 0.000 2.873 103 R HA 0.687 5.027 4.340 -0.000 0.000 0.264 103 R C -0.585 175.685 176.300 -0.050 0.000 1.026 103 R CA -0.947 55.116 56.100 -0.061 0.000 1.002 103 R CB 1.808 32.062 30.300 -0.077 0.000 1.174 103 R HN 0.362 nan 8.270 nan 0.000 0.488 104 V N -0.163 119.720 119.914 -0.053 0.000 2.532 104 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 104 V C -0.407 175.650 176.094 -0.062 0.000 1.041 104 V CA -0.795 61.476 62.300 -0.049 0.000 0.926 104 V CB 1.264 33.057 31.823 -0.050 0.000 0.992 104 V HN 0.496 nan 8.190 nan 0.000 0.457 105 L N 4.642 125.841 121.223 -0.039 0.000 2.388 105 L HA 0.634 4.974 4.340 -0.000 0.000 0.264 105 L C -2.634 174.241 176.870 0.008 0.000 0.998 105 L CA -1.911 52.905 54.840 -0.039 0.000 0.817 105 L CB 3.174 45.201 42.059 -0.052 0.000 1.338 105 L HN 0.449 nan 8.230 nan 0.000 0.414 106 P HA 0.161 nan 4.420 nan 0.000 0.287 106 P C 0.041 177.314 177.300 -0.045 0.000 1.294 106 P CA -0.182 62.904 63.100 -0.024 0.000 0.776 106 P CB 1.883 33.593 31.700 0.018 0.000 0.889 107 S N 2.374 118.036 115.700 -0.064 0.000 2.368 107 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 107 S C 1.321 175.872 174.600 -0.081 0.000 1.030 107 S CA 1.392 59.542 58.200 -0.084 0.000 0.999 107 S CB -0.435 62.723 63.200 -0.071 0.000 0.844 107 S HN 0.493 nan 8.310 nan 0.000 0.459 108 D N 0.940 121.312 120.400 -0.047 0.000 2.097 108 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 108 D C 2.023 178.307 176.300 -0.027 0.000 0.989 108 D CA 1.103 55.083 54.000 -0.033 0.000 0.827 108 D CB -0.360 40.434 40.800 -0.008 0.000 0.966 108 D HN 0.364 nan 8.370 nan 0.000 0.456 109 E N 0.328 120.536 120.200 0.012 0.000 2.077 109 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 109 E C 2.282 178.892 176.600 0.017 0.000 0.989 109 E CA 0.409 56.860 56.400 0.085 0.000 0.800 109 E CB -0.144 29.668 29.700 0.186 0.000 0.746 109 E HN 0.329 nan 8.360 nan 0.000 0.452 110 I N 1.083 121.529 120.570 -0.207 0.000 2.226 110 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 110 I C 1.761 177.662 176.117 -0.359 0.000 1.100 110 I CA 0.830 61.738 61.300 -0.654 0.000 1.374 110 I CB -0.270 37.325 38.000 -0.675 0.000 1.057 110 I HN 0.122 nan 8.210 nan 0.000 0.413 111 N N 0.522 119.101 118.700 -0.201 0.000 2.309 111 N HA -0.019 4.721 4.740 -0.000 0.000 0.182 111 N C 1.334 176.783 175.510 -0.102 0.000 1.018 111 N CA 1.021 53.991 53.050 -0.133 0.000 0.876 111 N CB 0.122 38.550 38.487 -0.099 0.000 0.972 111 N HN 0.310 nan 8.380 nan 0.000 0.434 112 L N -0.712 120.456 121.223 -0.092 0.000 2.615 112 L HA 0.153 4.493 4.340 -0.000 0.000 0.206 112 L C 1.789 178.606 176.870 -0.088 0.000 1.581 112 L CA -0.484 54.263 54.840 -0.156 0.000 3.015 112 L CB -0.463 41.469 42.059 -0.212 0.000 2.814 112 L HN 0.064 nan 8.230 nan 0.000 0.914 113 H N -0.513 118.649 119.070 0.153 0.000 2.495 113 H HA -0.027 4.529 4.556 -0.000 0.000 0.287 113 H C 0.917 176.385 175.328 0.233 0.000 1.033 113 H CA 0.538 56.714 56.048 0.214 0.000 1.307 113 H CB 0.076 29.997 29.762 0.265 0.000 1.401 113 H HN 0.240 nan 8.280 nan 0.000 0.555 114 F N 0.763 120.781 119.950 0.113 0.000 3.103 114 F HA -0.442 4.085 4.527 -0.000 0.000 0.250 114 F C 1.952 177.752 175.800 -0.001 0.000 1.486 114 F CA 2.505 60.527 58.000 0.036 0.000 1.817 114 F CB -1.216 37.779 39.000 -0.009 0.000 0.525 114 F HN 0.233 nan 8.300 nan 0.000 0.320 115 T N -0.832 113.499 114.554 -0.372 0.000 3.145 115 T HA 0.498 4.848 4.350 -0.000 0.000 0.255 115 T C 1.185 175.720 174.700 -0.275 0.000 1.039 115 T CA 0.867 62.545 62.100 -0.702 0.000 0.928 115 T CB -0.249 67.794 68.868 -1.375 0.000 1.029 115 T HN 2.061 nan 8.240 nan 0.000 0.554 116 G N 1.388 110.187 108.800 -0.001 0.000 2.136 116 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.242 116 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.242 116 G C -0.253 174.700 174.900 0.087 0.000 0.989 116 G CA -0.058 45.138 45.100 0.158 0.000 0.682 116 G HN 0.573 nan 8.290 nan 0.000 0.522 120 A N 1.363 124.289 122.820 0.176 0.000 1.898 120 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 120 A C 2.329 179.984 177.584 0.119 0.000 1.181 120 A CA 2.058 54.172 52.037 0.129 0.000 0.620 120 A CB -0.684 18.378 19.000 0.102 0.000 0.819 120 A HN 0.101 nan 8.150 nan 0.000 0.442 121 V N -0.044 119.934 119.914 0.107 0.000 2.295 121 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 121 V C 3.067 179.247 176.094 0.144 0.000 1.049 121 V CA 1.962 64.331 62.300 0.115 0.000 1.024 121 V CB -1.252 30.622 31.823 0.084 0.000 0.648 121 V HN 0.610 nan 8.190 nan 0.000 0.447 122 A N 0.723 123.614 122.820 0.118 0.000 1.902 122 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 122 A C 2.579 180.260 177.584 0.163 0.000 1.181 122 A CA 2.460 54.567 52.037 0.116 0.000 0.623 122 A CB -0.815 18.254 19.000 0.116 0.000 0.818 122 A HN 0.692 nan 8.150 nan 0.000 0.443 123 S N 0.235 116.027 115.700 0.153 0.000 2.368 123 S HA 0.015 4.485 4.470 -0.000 0.000 0.225 123 S C 2.145 176.831 174.600 0.143 0.000 1.030 123 S CA 1.459 59.740 58.200 0.136 0.000 0.999 123 S CB -0.781 62.486 63.200 0.110 0.000 0.844 123 S HN 0.944 nan 8.310 nan 0.000 0.459 124 A N 1.499 124.408 122.820 0.147 0.000 1.902 124 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 124 A C 2.113 179.818 177.584 0.202 0.000 1.181 124 A CA 1.912 54.031 52.037 0.137 0.000 0.623 124 A CB -1.450 17.621 19.000 0.118 0.000 0.818 124 A HN 0.810 nan 8.150 nan 0.000 0.443 125 H N -0.111 119.072 119.070 0.187 0.000 2.321 125 H HA -0.092 4.464 4.556 0.000 0.000 0.300 125 H C 1.976 177.502 175.328 0.329 0.000 1.087 125 H CA 1.915 58.164 56.048 0.335 0.000 1.319 125 H CB 0.034 29.896 29.762 0.167 0.000 1.379 125 H HN 0.412 nan 8.280 nan 0.000 0.501 126 N N 0.342 119.266 118.700 0.373 0.000 2.309 126 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 126 N C 1.965 177.580 175.510 0.175 0.000 1.018 126 N CA 0.814 54.009 53.050 0.241 0.000 0.876 126 N CB -0.313 38.267 38.487 0.155 0.000 0.972 126 N HN 0.346 nan 8.380 nan 0.000 0.434 127 L N 1.039 122.349 121.223 0.144 0.000 2.042 127 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 127 L C 1.902 178.802 176.870 0.050 0.000 1.076 127 L CA 1.440 56.330 54.840 0.084 0.000 0.749 127 L CB -0.712 41.383 42.059 0.061 0.000 0.893 127 L HN 0.133 nan 8.230 nan 0.000 0.432 128 L N -0.368 120.871 121.223 0.027 0.000 2.056 128 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 128 L C 2.525 179.361 176.870 -0.057 0.000 1.078 128 L CA 1.990 56.751 54.840 -0.131 0.000 0.749 128 L CB -1.277 40.517 42.059 -0.442 0.000 0.901 128 L HN 0.450 nan 8.230 nan 0.000 0.433 129 A N 0.021 122.936 122.820 0.158 0.000 1.877 129 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 129 A C 2.494 180.139 177.584 0.101 0.000 1.186 129 A CA 1.983 54.145 52.037 0.208 0.000 0.620 129 A CB -0.858 18.287 19.000 0.240 0.000 0.822 129 A HN 0.541 nan 8.150 nan 0.000 0.443 130 A N -0.719 122.155 122.820 0.090 0.000 1.902 130 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 130 A C 2.225 179.851 177.584 0.070 0.000 1.181 130 A CA 1.864 53.946 52.037 0.076 0.000 0.623 130 A CB -0.946 18.099 19.000 0.075 0.000 0.818 130 A HN 0.424 nan 8.150 nan 0.000 0.443 131 V N -0.290 119.655 119.914 0.051 0.000 2.515 131 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 131 V C 2.461 178.594 176.094 0.065 0.000 1.058 131 V CA 1.762 64.093 62.300 0.050 0.000 1.064 131 V CB -0.636 31.191 31.823 0.006 0.000 0.675 131 V HN 0.632 nan 8.190 nan 0.000 0.461 132 L N -0.330 120.910 121.223 0.028 0.000 2.027 132 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 132 L C 2.333 179.261 176.870 0.096 0.000 1.074 132 L CA 1.973 56.831 54.840 0.031 0.000 0.745 132 L CB -0.499 41.555 42.059 -0.008 0.000 0.898 132 L HN 0.308 nan 8.230 nan 0.000 0.433 133 D N -1.056 119.396 120.400 0.088 0.000 2.144 133 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 133 D C 2.237 178.599 176.300 0.104 0.000 0.984 133 D CA 1.536 55.593 54.000 0.095 0.000 0.834 133 D CB 0.208 41.056 40.800 0.080 0.000 0.955 133 D HN 0.354 nan 8.370 nan 0.000 0.465 134 S N -0.568 115.199 115.700 0.113 0.000 2.395 134 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 134 S C 1.893 176.611 174.600 0.197 0.000 1.027 134 S CA 0.960 59.234 58.200 0.123 0.000 0.965 134 S CB -0.130 63.172 63.200 0.170 0.000 0.812 134 S HN 0.322 nan 8.310 nan 0.000 0.482 135 H N 1.066 120.204 119.070 0.112 0.000 2.319 135 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 135 H C 1.825 177.205 175.328 0.087 0.000 1.092 135 H CA 2.381 58.489 56.048 0.099 0.000 1.302 135 H CB -0.350 29.435 29.762 0.038 0.000 1.373 135 H HN 0.440 nan 8.280 nan 0.000 0.497 136 I N 0.361 121.009 120.570 0.129 0.000 2.252 136 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 136 I C 2.676 178.859 176.117 0.110 0.000 1.102 136 I CA 1.227 62.558 61.300 0.051 0.000 1.385 136 I CB -0.352 37.681 38.000 0.055 0.000 1.064 136 I HN 0.268 nan 8.210 nan 0.000 0.414 137 K N 0.634 121.111 120.400 0.129 0.000 2.063 137 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 137 K C 1.629 178.215 176.600 -0.025 0.000 1.048 137 K CA 1.637 57.967 56.287 0.070 0.000 0.928 137 K CB -0.204 32.182 32.500 -0.189 0.000 0.713 137 K HN 0.424 nan 8.250 nan 0.000 0.442 138 H N -1.396 117.695 119.070 0.035 0.000 2.524 138 H HA 0.147 4.703 4.556 -0.000 0.000 0.280 138 H C 0.953 176.244 175.328 -0.063 0.000 1.018 138 H CA 0.915 56.952 56.048 -0.018 0.000 1.165 138 H CB 0.699 30.435 29.762 -0.043 0.000 1.411 138 H HN 0.592 nan 8.280 nan 0.000 0.569 139 G N 0.893 109.706 108.800 0.022 0.000 2.425 139 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.177 139 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.177 139 G C 0.196 175.028 174.900 -0.113 0.000 0.999 139 G CA -0.223 44.861 45.100 -0.026 0.000 0.723 139 G HN 0.282 nan 8.290 nan 0.000 0.491 140 N N 0.574 119.136 118.700 -0.230 0.000 2.688 140 N HA -0.153 4.587 4.740 -0.000 0.000 0.258 140 N C 1.084 176.549 175.510 -0.075 0.000 1.016 140 N CA 1.480 54.412 53.050 -0.197 0.000 0.747 140 N CB -0.817 37.596 38.487 -0.124 0.000 0.895 140 N HN 0.714 nan 8.380 nan 0.000 0.543 141 E N 0.060 120.186 120.200 -0.124 0.000 2.153 141 E HA -0.046 4.303 4.350 -0.000 0.000 0.194 141 E C 1.692 178.400 176.600 0.179 0.000 0.988 141 E CA 1.139 57.578 56.400 0.065 0.000 0.811 141 E CB 0.007 29.753 29.700 0.077 0.000 0.746 141 E HN 0.658 nan 8.360 nan 0.000 0.466 142 L N 0.354 121.822 121.223 0.408 0.000 2.552 142 L HA -0.002 4.338 4.340 -0.000 0.000 0.227 142 L C 0.053 176.973 176.870 0.082 0.000 1.146 142 L CA 0.107 55.042 54.840 0.159 0.000 0.858 142 L CB -0.075 41.969 42.059 -0.025 0.000 0.969 142 L HN 0.013 nan 8.230 nan 0.000 0.451 143 K N 0.370 120.820 120.400 0.083 0.000 3.096 143 K HA -0.180 4.140 4.320 -0.000 0.000 0.266 143 K C -0.132 176.468 176.600 -0.000 0.000 1.043 143 K CA 0.661 56.959 56.287 0.017 0.000 0.758 143 K CB -2.461 30.044 32.500 0.008 0.000 1.260 143 K HN 0.325 nan 8.250 nan 0.000 0.481 144 I N 1.407 121.983 120.570 0.011 0.000 2.683 144 I HA -0.088 4.082 4.170 -0.000 0.000 0.286 144 I C 1.106 177.191 176.117 -0.054 0.000 1.175 144 I CA 0.156 61.444 61.300 -0.020 0.000 1.429 144 I CB 0.242 38.237 38.000 -0.008 0.000 1.371 144 I HN 0.040 nan 8.210 nan 0.000 0.569 145 D N 7.579 127.942 120.400 -0.062 0.000 2.352 145 D HA 0.090 4.730 4.640 -0.000 0.000 0.245 145 D C 1.067 177.310 176.300 -0.095 0.000 1.224 145 D CA -0.342 53.613 54.000 -0.076 0.000 0.879 145 D CB 0.790 41.551 40.800 -0.065 0.000 1.057 145 D HN 0.501 nan 8.370 nan 0.000 0.491 146 I N 1.375 121.893 120.570 -0.087 0.000 3.083 146 I HA -0.081 4.089 4.170 -0.000 0.000 0.273 146 I C 1.308 177.380 176.117 -0.076 0.000 1.297 146 I CA 0.844 62.100 61.300 -0.073 0.000 1.452 146 I CB -0.414 37.554 38.000 -0.053 0.000 1.078 146 I HN 0.253 nan 8.210 nan 0.000 0.484 147 T N -1.870 112.634 114.554 -0.085 0.000 3.086 147 T HA 0.264 4.614 4.350 -0.000 0.000 0.250 147 T C 1.116 175.729 174.700 -0.145 0.000 1.074 147 T CA -0.257 61.790 62.100 -0.088 0.000 0.988 147 T CB -0.102 68.730 68.868 -0.059 0.000 0.988 147 T HN 0.478 nan 8.240 nan 0.000 0.530 148 R N 0.864 121.241 120.500 -0.206 0.000 2.772 148 R HA 0.404 4.744 4.340 -0.000 0.000 0.358 148 R C -1.258 174.699 176.300 -0.572 0.000 1.143 148 R CA -0.259 55.616 56.100 -0.375 0.000 1.153 148 R CB 1.377 31.507 30.300 -0.283 0.000 1.329 148 R HN 0.205 nan 8.270 nan 0.000 0.615 149 V N 2.000 121.666 119.914 -0.413 0.000 2.348 149 V HA 0.182 4.302 4.120 -0.000 0.000 0.270 149 V C 0.633 176.539 176.094 -0.315 0.000 1.037 149 V CA -0.216 61.893 62.300 -0.318 0.000 0.872 149 V CB 0.612 32.367 31.823 -0.112 0.000 1.002 149 V HN 0.349 nan 8.190 nan 0.000 0.464 150 F N 2.198 122.155 119.950 0.012 0.000 2.293 150 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 150 F C 1.229 177.034 175.800 0.009 0.000 1.089 150 F CA -0.062 57.922 58.000 -0.027 0.000 1.377 150 F CB -0.011 38.970 39.000 -0.032 0.000 1.051 150 F HN 0.416 nan 8.300 nan 0.000 0.511 151 W N 3.781 125.096 121.300 0.025 0.000 2.304 151 W HA 0.177 4.837 4.660 -0.000 0.000 0.313 151 W C -0.143 176.349 176.519 -0.045 0.000 1.323 151 W CA -0.302 57.021 57.345 -0.036 0.000 1.223 151 W CB 0.533 29.943 29.460 -0.084 0.000 1.237 151 W HN -0.204 nan 8.180 nan 0.000 0.535 152 K N 4.860 124.972 120.400 -0.481 0.000 2.245 152 K HA 0.520 4.839 4.320 -0.000 0.000 0.234 152 K C 0.057 176.401 176.600 -0.426 0.000 1.021 152 K CA -0.980 55.089 56.287 -0.365 0.000 0.898 152 K CB 1.203 33.511 32.500 -0.320 0.000 1.163 152 K HN 0.480 nan 8.250 nan 0.000 0.459 153 R N -0.495 119.693 120.500 -0.519 0.000 2.541 153 R HA 0.512 4.852 4.340 -0.000 0.000 0.254 153 R C 0.189 176.038 176.300 -0.752 0.000 1.130 153 R CA -0.400 55.274 56.100 -0.710 0.000 1.152 153 R CB 1.107 30.619 30.300 -1.314 0.000 1.222 153 R HN 0.597 nan 8.270 nan 0.000 0.579 159 D N 0.833 121.224 120.400 -0.014 0.000 2.408 159 D HA 0.196 4.836 4.640 -0.000 0.000 0.261 159 D C 1.156 177.434 176.300 -0.038 0.000 1.190 159 D CA -0.446 53.529 54.000 -0.041 0.000 0.910 159 D CB 0.898 41.646 40.800 -0.086 0.000 1.097 159 D HN 0.460 nan 8.370 nan 0.000 0.522 160 R N 2.362 122.849 120.500 -0.022 0.000 2.193 160 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 160 R C 1.475 177.762 176.300 -0.022 0.000 1.110 160 R CA 1.248 57.341 56.100 -0.012 0.000 0.988 160 R CB -0.231 30.066 30.300 -0.005 0.000 0.871 160 R HN 0.185 nan 8.270 nan 0.000 0.458 161 A N 1.561 124.356 122.820 -0.041 0.000 2.125 161 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 161 A C 1.945 179.495 177.584 -0.058 0.000 1.156 161 A CA 0.842 52.851 52.037 -0.047 0.000 0.671 161 A CB -0.231 18.733 19.000 -0.060 0.000 0.794 161 A HN 0.357 nan 8.150 nan 0.000 0.459 162 L N -1.673 119.503 121.223 -0.079 0.000 2.667 162 L HA 0.151 4.491 4.340 -0.000 0.000 0.232 162 L C 2.178 179.083 176.870 0.058 0.000 1.138 162 L CA -0.119 54.672 54.840 -0.081 0.000 0.921 162 L CB -0.142 41.717 42.059 -0.334 0.000 1.180 162 L HN 0.313 nan 8.230 nan 0.000 0.487 163 R N -0.092 120.427 120.500 0.033 0.000 2.081 163 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 163 R C 0.168 176.496 176.300 0.047 0.000 1.131 163 R CA 0.851 56.977 56.100 0.043 0.000 0.960 163 R CB 0.071 30.385 30.300 0.023 0.000 0.856 163 R HN 0.119 nan 8.270 nan 0.000 0.436 164 S N 0.360 116.084 115.700 0.040 0.000 2.776 164 S HA 0.429 4.899 4.470 -0.000 0.000 0.284 164 S C -0.559 174.065 174.600 0.041 0.000 1.160 164 S CA -0.872 57.350 58.200 0.037 0.000 1.051 164 S CB 1.547 64.759 63.200 0.020 0.000 1.037 164 S HN 0.289 nan 8.310 nan 0.000 0.485 165 I N -0.496 120.109 120.570 0.059 0.000 3.042 165 I HA 0.874 5.044 4.170 -0.000 0.000 0.310 165 I C -1.446 174.703 176.117 0.053 0.000 1.117 165 I CA -1.278 60.059 61.300 0.061 0.000 1.003 165 I CB 1.948 40.010 38.000 0.102 0.000 1.228 165 I HN 0.256 nan 8.210 nan 0.000 0.443 166 V N 4.431 124.373 119.914 0.047 0.000 2.448 166 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 166 V C 0.149 176.273 176.094 0.051 0.000 1.025 166 V CA -0.474 61.852 62.300 0.042 0.000 0.859 166 V CB 1.429 33.269 31.823 0.029 0.000 0.988 166 V HN 0.724 nan 8.190 nan 0.000 0.431 167 I N 1.008 121.611 120.570 0.055 0.000 3.100 167 I HA 0.950 5.120 4.170 -0.000 0.000 0.312 167 I C 0.973 177.118 176.117 0.047 0.000 1.063 167 I CA -0.487 60.849 61.300 0.059 0.000 1.031 167 I CB 1.929 39.974 38.000 0.076 0.000 1.243 167 I HN 0.810 nan 8.210 nan 0.000 0.483 168 G N 2.006 110.831 108.800 0.041 0.000 2.221 168 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.265 168 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.265 168 G C -0.244 174.658 174.900 0.003 0.000 1.041 168 G CA 0.345 45.461 45.100 0.026 0.000 0.807 168 G HN 0.575 nan 8.290 nan 0.000 0.502 169 L N -1.295 119.930 121.223 0.004 0.000 2.454 169 L HA 0.679 5.019 4.340 -0.000 0.000 0.256 169 L C 1.741 178.597 176.870 -0.023 0.000 1.136 169 L CA 0.288 55.124 54.840 -0.008 0.000 0.804 169 L CB 1.214 43.274 42.059 0.002 0.000 1.181 169 L HN 0.899 nan 8.230 nan 0.000 0.469 170 G N -0.299 108.483 108.800 -0.029 0.000 2.211 170 G HA2 0.157 4.117 3.960 -0.000 0.000 0.201 170 G HA3 0.157 4.117 3.960 -0.000 0.000 0.201 170 G C 0.355 175.227 174.900 -0.047 0.000 0.997 170 G CA -0.158 44.923 45.100 -0.031 0.000 0.652 170 G HN 1.457 nan 8.290 nan 0.000 0.500 171 G N -1.208 107.550 108.800 -0.070 0.000 2.343 171 G HA2 0.354 4.314 3.960 -0.000 0.000 0.562 171 G HA3 0.354 4.314 3.960 -0.000 0.000 0.562 171 G C 0.785 175.599 174.900 -0.144 0.000 1.269 171 G CA 0.540 45.584 45.100 -0.093 0.000 1.011 171 G HN 1.226 nan 8.290 nan 0.000 0.498 172 S N -0.033 115.574 115.700 -0.155 0.000 2.387 172 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 172 S C 2.760 177.242 174.600 -0.197 0.000 1.035 172 S CA 2.588 60.659 58.200 -0.215 0.000 1.014 172 S CB -0.477 62.629 63.200 -0.156 0.000 0.836 172 S HN 1.773 nan 8.310 nan 0.000 0.466 173 A N 1.678 124.421 122.820 -0.128 0.000 2.121 173 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 173 A C 1.563 179.082 177.584 -0.107 0.000 1.154 173 A CA 1.046 53.022 52.037 -0.101 0.000 0.679 173 A CB -0.250 18.714 19.000 -0.061 0.000 0.795 173 A HN 0.434 nan 8.150 nan 0.000 0.458 174 N N -0.866 117.762 118.700 -0.120 0.000 2.236 174 N HA 0.325 5.064 4.740 -0.000 0.000 0.196 174 N C 0.958 176.398 175.510 -0.117 0.000 1.114 174 N CA 1.006 54.001 53.050 -0.093 0.000 0.859 174 N CB 0.663 39.114 38.487 -0.061 0.000 0.982 174 N HN 0.597 nan 8.380 nan 0.000 0.493 175 G N 0.614 109.287 108.800 -0.212 0.000 2.508 175 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 175 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 175 G C -1.145 173.532 174.900 -0.371 0.000 1.287 175 G CA -0.798 44.143 45.100 -0.265 0.000 0.916 175 G HN 0.086 nan 8.290 nan 0.000 0.574 176 F N 2.038 121.969 119.950 -0.032 0.000 2.427 176 F HA 0.568 5.095 4.527 0.000 0.000 0.346 176 F C -1.708 174.085 175.800 -0.012 0.000 1.120 176 F CA -1.642 56.346 58.000 -0.021 0.000 1.033 176 F CB 1.975 40.963 39.000 -0.021 0.000 1.126 176 F HN 0.176 nan 8.300 nan 0.000 0.462 177 P HA 0.156 nan 4.420 nan 0.000 0.265 177 P C -0.886 176.468 177.300 0.090 0.000 1.193 177 P CA 0.009 63.161 63.100 0.087 0.000 0.765 177 P CB 0.490 32.228 31.700 0.063 0.000 0.823 178 R N 0.589 121.127 120.500 0.063 0.000 2.752 178 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 178 R C -1.178 175.140 176.300 0.030 0.000 1.026 178 R CA -1.025 55.099 56.100 0.040 0.000 0.901 178 R CB 1.330 31.650 30.300 0.033 0.000 1.243 178 R HN 0.235 nan 8.270 nan 0.000 0.463 179 E N 0.608 120.817 120.200 0.015 0.000 2.301 179 E HA 0.221 4.571 4.350 -0.000 0.000 0.275 179 E C -1.043 175.562 176.600 0.008 0.000 1.030 179 E CA -0.376 56.032 56.400 0.013 0.000 0.852 179 E CB 1.237 30.938 29.700 0.002 0.000 1.060 179 E HN 0.405 nan 8.360 nan 0.000 0.401 180 D N -0.077 120.336 120.400 0.022 0.000 2.664 180 D HA 0.487 5.127 4.640 -0.000 0.000 0.292 180 D C -1.459 174.861 176.300 0.033 0.000 1.214 180 D CA -0.511 53.496 54.000 0.011 0.000 0.932 180 D CB 2.073 42.882 40.800 0.015 0.000 1.420 180 D HN 0.240 nan 8.370 nan 0.000 0.471 181 S N -0.446 115.259 115.700 0.008 0.000 2.550 181 S HA 0.609 5.079 4.470 -0.000 0.000 0.270 181 S C -1.478 173.132 174.600 0.017 0.000 1.145 181 S CA -0.576 57.654 58.200 0.050 0.000 0.852 181 S CB 0.849 64.041 63.200 -0.013 0.000 1.119 181 S HN 0.291 nan 8.310 nan 0.000 0.465 182 F N 2.384 122.289 119.950 -0.075 0.000 2.443 182 F HA 0.649 5.176 4.527 0.000 0.000 0.335 182 F C 0.361 176.084 175.800 -0.128 0.000 1.104 182 F CA -0.992 56.946 58.000 -0.105 0.000 1.013 182 F CB 1.105 40.060 39.000 -0.075 0.000 1.136 182 F HN 0.468 nan 8.300 nan 0.000 0.470 183 I N 1.552 122.087 120.570 -0.058 0.000 2.648 183 I HA 0.591 4.761 4.170 -0.000 0.000 0.304 183 I C -0.515 175.528 176.117 -0.123 0.000 1.009 183 I CA -1.024 60.199 61.300 -0.128 0.000 1.114 183 I CB 2.059 39.901 38.000 -0.264 0.000 1.293 183 I HN 0.540 nan 8.210 nan 0.000 0.449 184 I N 3.281 123.788 120.570 -0.104 0.000 2.692 184 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 184 I C 1.330 177.349 176.117 -0.163 0.000 1.159 184 I CA 0.427 61.689 61.300 -0.064 0.000 1.423 184 I CB 1.462 39.492 38.000 0.049 0.000 1.380 184 I HN 0.819 nan 8.210 nan 0.000 0.580 185 T N 6.043 120.534 114.554 -0.105 0.000 2.833 185 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 185 T C 1.712 176.339 174.700 -0.122 0.000 1.054 185 T CA 1.469 63.484 62.100 -0.141 0.000 1.135 185 T CB -0.192 68.638 68.868 -0.064 0.000 0.869 185 T HN 0.798 nan 8.240 nan 0.000 0.466 186 A N 1.252 124.042 122.820 -0.050 0.000 2.019 186 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 186 A C 2.472 179.972 177.584 -0.140 0.000 1.164 186 A CA 1.552 53.608 52.037 0.031 0.000 0.644 186 A CB -0.748 18.406 19.000 0.256 0.000 0.805 186 A HN 0.512 nan 8.150 nan 0.000 0.449 187 A N -0.623 121.860 122.820 -0.561 0.000 2.206 187 A HA 0.275 4.595 4.320 -0.000 0.000 0.211 187 A C 1.452 178.823 177.584 -0.355 0.000 1.158 187 A CA 0.760 52.282 52.037 -0.858 0.000 0.761 187 A CB -0.574 17.693 19.000 -1.223 0.000 0.801 187 A HN 0.479 nan 8.150 nan 0.000 0.473 188 S N -0.122 115.435 115.700 -0.239 0.000 2.549 188 S HA 0.003 4.473 4.470 -0.000 0.000 0.286 188 S C 1.056 175.683 174.600 0.046 0.000 1.314 188 S CA 0.137 58.282 58.200 -0.092 0.000 1.062 188 S CB 0.616 63.819 63.200 0.006 0.000 0.865 188 S HN 0.567 nan 8.310 nan 0.000 0.498 189 E N 3.108 123.365 120.200 0.096 0.000 2.204 189 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 189 E C 0.602 177.309 176.600 0.179 0.000 0.990 189 E CA 0.532 57.020 56.400 0.147 0.000 0.821 189 E CB 0.091 29.887 29.700 0.160 0.000 0.750 189 E HN 0.600 nan 8.360 nan 0.000 0.477 193 I N 0.387 121.065 120.570 0.180 0.000 2.179 193 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 193 I C 2.353 178.525 176.117 0.091 0.000 1.088 193 I CA 1.755 63.124 61.300 0.114 0.000 1.357 193 I CB -0.095 37.949 38.000 0.073 0.000 1.051 193 I HN 0.471 nan 8.210 nan 0.000 0.409 194 L N 1.091 122.362 121.223 0.080 0.000 2.079 194 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 194 L C 2.406 179.284 176.870 0.012 0.000 1.081 194 L CA 2.121 56.979 54.840 0.031 0.000 0.752 194 L CB -0.688 41.377 42.059 0.011 0.000 0.896 194 L HN 0.205 nan 8.230 nan 0.000 0.433 195 A N -1.623 121.240 122.820 0.071 0.000 2.168 195 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 195 A C 2.005 179.679 177.584 0.151 0.000 1.152 195 A CA 1.213 53.318 52.037 0.114 0.000 0.716 195 A CB -0.436 18.709 19.000 0.243 0.000 0.794 195 A HN 0.492 nan 8.150 nan 0.000 0.465 196 L N -1.049 120.236 121.223 0.103 0.000 2.731 196 L HA 0.173 4.513 4.340 -0.000 0.000 0.240 196 L C 0.308 177.179 176.870 0.001 0.000 1.120 196 L CA -0.155 54.695 54.840 0.017 0.000 0.913 196 L CB 0.479 42.535 42.059 -0.005 0.000 1.213 196 L HN 0.076 nan 8.230 nan 0.000 0.515 197 S N 0.005 115.722 115.700 0.027 0.000 2.565 197 S HA 0.149 4.619 4.470 -0.000 0.000 0.274 197 S C 0.864 175.485 174.600 0.035 0.000 1.309 197 S CA -0.397 57.815 58.200 0.020 0.000 1.043 197 S CB 1.508 64.716 63.200 0.013 0.000 0.939 197 S HN 0.192 nan 8.310 nan 0.000 0.504 198 E N 1.090 121.313 120.200 0.040 0.000 2.415 198 E HA 0.068 4.418 4.350 -0.000 0.000 0.197 198 E C -0.113 176.568 176.600 0.134 0.000 1.007 198 E CA 0.138 56.585 56.400 0.078 0.000 0.890 198 E CB 0.259 29.990 29.700 0.052 0.000 0.891 198 E HN 0.765 nan 8.360 nan 0.000 0.496 202 D N 1.554 121.970 120.400 0.026 0.000 2.104 202 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 202 D C 1.832 178.139 176.300 0.011 0.000 0.994 202 D CA 1.694 55.704 54.000 0.017 0.000 0.830 202 D CB 0.013 40.825 40.800 0.021 0.000 0.959 202 D HN 0.253 nan 8.370 nan 0.000 0.452 203 L N 0.939 122.168 121.223 0.010 0.000 2.012 203 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 203 L C 2.274 179.146 176.870 0.002 0.000 1.073 203 L CA 1.994 56.837 54.840 0.005 0.000 0.748 203 L CB -0.689 41.367 42.059 -0.004 0.000 0.891 203 L HN -0.042 nan 8.230 nan 0.000 0.431 204 K N -0.766 119.635 120.400 0.002 0.000 2.097 204 K HA -0.228 4.092 4.320 -0.000 0.000 0.205 204 K C 2.163 178.755 176.600 -0.012 0.000 1.050 204 K CA 1.552 57.836 56.287 -0.006 0.000 0.938 204 K CB -0.117 32.382 32.500 -0.001 0.000 0.718 204 K HN 0.552 nan 8.250 nan 0.000 0.442 205 E N 0.400 120.597 120.200 -0.005 0.000 2.072 205 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 205 E C 1.967 178.562 176.600 -0.010 0.000 0.985 205 E CA 0.953 57.349 56.400 -0.007 0.000 0.801 205 E CB 0.158 29.858 29.700 0.000 0.000 0.750 205 E HN 0.234 nan 8.360 nan 0.000 0.452 206 R N 0.190 120.686 120.500 -0.006 0.000 2.070 206 R HA -0.121 4.219 4.340 -0.000 0.000 0.233 206 R C 2.644 178.931 176.300 -0.022 0.000 1.137 206 R CA 1.462 57.557 56.100 -0.007 0.000 0.945 206 R CB -0.427 29.875 30.300 0.003 0.000 0.845 206 R HN 0.236 nan 8.270 nan 0.000 0.430 207 L N -0.300 120.908 121.223 -0.025 0.000 2.043 207 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 207 L C 2.554 179.370 176.870 -0.090 0.000 1.075 207 L CA 1.561 56.370 54.840 -0.052 0.000 0.752 207 L CB -0.820 41.212 42.059 -0.046 0.000 0.891 207 L HN 0.420 nan 8.230 nan 0.000 0.432 208 G N -0.479 108.280 108.800 -0.069 0.000 2.470 208 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 208 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 208 G C 1.649 176.507 174.900 -0.071 0.000 1.121 208 G CA 0.389 45.443 45.100 -0.077 0.000 0.766 208 G HN 0.325 nan 8.290 nan 0.000 0.553 209 K N -0.405 119.965 120.400 -0.050 0.000 2.418 209 K HA 0.224 4.544 4.320 -0.000 0.000 0.195 209 K C 0.584 177.159 176.600 -0.041 0.000 1.035 209 K CA -0.339 55.934 56.287 -0.023 0.000 1.003 209 K CB 0.149 32.651 32.500 0.004 0.000 0.793 209 K HN 0.288 nan 8.250 nan 0.000 0.494 210 I N 2.262 122.782 120.570 -0.085 0.000 2.683 210 I HA -0.083 4.087 4.170 -0.000 0.000 0.286 210 I C 0.280 176.342 176.117 -0.092 0.000 1.175 210 I CA 0.154 61.396 61.300 -0.097 0.000 1.429 210 I CB 0.393 38.294 38.000 -0.164 0.000 1.371 210 I HN -0.011 nan 8.210 nan 0.000 0.569 211 I N 7.256 127.799 120.570 -0.045 0.000 2.337 211 I HA 0.018 4.188 4.170 -0.000 0.000 0.291 211 I C 1.091 177.278 176.117 0.118 0.000 1.046 211 I CA -0.109 61.197 61.300 0.010 0.000 1.324 211 I CB 0.987 38.960 38.000 -0.045 0.000 1.409 211 I HN 0.530 nan 8.210 nan 0.000 0.494 212 V N 3.195 123.179 119.914 0.117 0.000 3.379 212 V HA 0.638 4.758 4.120 -0.000 0.000 0.249 212 V C 0.662 176.908 176.094 0.253 0.000 1.184 212 V CA 0.559 62.952 62.300 0.154 0.000 1.106 212 V CB 0.105 31.843 31.823 -0.141 0.000 0.826 212 V HN 0.745 nan 8.190 nan 0.000 0.465 213 A N -0.229 122.734 122.820 0.240 0.000 2.566 213 A HA 0.747 5.067 4.320 -0.000 0.000 0.290 213 A C -1.431 176.214 177.584 0.102 0.000 1.071 213 A CA -0.697 51.346 52.037 0.011 0.000 0.658 213 A CB 0.970 19.927 19.000 -0.072 0.000 1.285 213 A HN 0.271 nan 8.150 nan 0.000 0.427 214 L N 1.361 122.555 121.223 -0.049 0.000 2.334 214 L HA 0.501 4.841 4.340 -0.000 0.000 0.275 214 L C 0.013 176.882 176.870 -0.001 0.000 1.036 214 L CA -0.948 53.926 54.840 0.056 0.000 0.807 214 L CB 1.556 43.676 42.059 0.101 0.000 1.231 214 L HN 0.987 nan 8.230 nan 0.000 0.438 215 D N 1.167 121.585 120.400 0.029 0.000 2.506 215 D HA 0.257 4.897 4.640 -0.000 0.000 0.272 215 D C 0.822 177.130 176.300 0.014 0.000 1.214 215 D CA -0.305 53.701 54.000 0.011 0.000 1.067 215 D CB 0.946 41.756 40.800 0.017 0.000 1.117 215 D HN 0.493 nan 8.370 nan 0.000 0.578 216 A N -0.693 122.130 122.820 0.005 0.000 2.121 216 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 216 A C 1.132 178.727 177.584 0.019 0.000 1.154 216 A CA 1.150 53.188 52.037 0.002 0.000 0.679 216 A CB -0.446 18.549 19.000 -0.009 0.000 0.795 216 A HN 0.525 nan 8.150 nan 0.000 0.458 217 D N -0.999 119.420 120.400 0.031 0.000 2.368 217 D HA 0.156 4.796 4.640 -0.000 0.000 0.218 217 D C 0.136 176.478 176.300 0.070 0.000 1.112 217 D CA -0.053 53.972 54.000 0.042 0.000 0.834 217 D CB 0.068 40.889 40.800 0.035 0.000 0.953 217 D HN 0.386 nan 8.370 nan 0.000 0.505 218 R N 0.240 120.791 120.500 0.084 0.000 3.878 218 R HA -0.151 4.189 4.340 -0.000 0.000 0.330 218 R C -0.158 176.248 176.300 0.176 0.000 1.186 218 R CA 0.671 56.855 56.100 0.140 0.000 0.885 218 R CB -1.841 28.558 30.300 0.165 0.000 1.377 218 R HN 0.224 nan 8.270 nan 0.000 0.523 219 K N 1.026 121.500 120.400 0.123 0.000 2.154 219 K HA 0.338 4.658 4.320 -0.000 0.000 0.264 219 K C 0.726 177.384 176.600 0.096 0.000 1.008 219 K CA -0.460 55.897 56.287 0.116 0.000 0.937 219 K CB 0.825 33.371 32.500 0.076 0.000 1.002 219 K HN 0.042 nan 8.250 nan 0.000 0.469 220 I N 2.300 122.900 120.570 0.049 0.000 2.556 220 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 220 I C -0.184 175.960 176.117 0.045 0.000 1.114 220 I CA -0.308 61.023 61.300 0.050 0.000 1.418 220 I CB 0.635 38.616 38.000 -0.031 0.000 1.394 220 I HN 0.163 nan 8.210 nan 0.000 0.552 221 V N 7.624 127.571 119.914 0.055 0.000 2.398 221 V HA 0.451 4.571 4.120 -0.000 0.000 0.286 221 V C 0.256 176.344 176.094 -0.010 0.000 1.026 221 V CA -0.698 61.603 62.300 0.002 0.000 0.868 221 V CB 1.382 33.188 31.823 -0.028 0.000 0.982 221 V HN 0.698 nan 8.190 nan 0.000 0.443 222 R N 2.925 123.396 120.500 -0.048 0.000 2.856 222 R HA 0.590 4.930 4.340 -0.000 0.000 0.258 222 R C 0.980 177.195 176.300 -0.142 0.000 1.066 222 R CA -0.935 55.118 56.100 -0.077 0.000 1.045 222 R CB 1.811 32.083 30.300 -0.048 0.000 1.178 222 R HN 0.542 nan 8.270 nan 0.000 0.499 223 I N 0.704 121.161 120.570 -0.188 0.000 2.264 223 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 223 I C 2.205 178.225 176.117 -0.162 0.000 1.111 223 I CA 1.752 62.911 61.300 -0.236 0.000 1.382 223 I CB -0.308 37.517 38.000 -0.292 0.000 1.060 223 I HN 0.681 nan 8.210 nan 0.000 0.418 224 S N 0.051 115.681 115.700 -0.117 0.000 2.419 224 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 224 S C 1.478 176.027 174.600 -0.084 0.000 1.016 224 S CA 1.215 59.364 58.200 -0.085 0.000 0.974 224 S CB -0.453 62.713 63.200 -0.058 0.000 0.786 224 S HN 0.427 nan 8.310 nan 0.000 0.492 225 D N 1.512 121.854 120.400 -0.097 0.000 2.269 225 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 225 D C 1.713 177.932 176.300 -0.136 0.000 0.963 225 D CA 0.722 54.661 54.000 -0.101 0.000 0.864 225 D CB -0.115 40.624 40.800 -0.101 0.000 0.936 225 D HN 0.423 nan 8.370 nan 0.000 0.505 226 L N -0.546 120.581 121.223 -0.159 0.000 2.416 226 L HA 0.158 4.498 4.340 -0.000 0.000 0.216 226 L C 1.455 178.264 176.870 -0.101 0.000 1.098 226 L CA 0.453 55.193 54.840 -0.166 0.000 0.840 226 L CB 0.116 42.057 42.059 -0.197 0.000 0.981 226 L HN 0.064 nan 8.230 nan 0.000 0.462 227 G N 1.409 110.154 108.800 -0.092 0.000 2.160 227 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 227 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 227 G C 0.620 175.485 174.900 -0.058 0.000 1.022 227 G CA 0.522 45.585 45.100 -0.063 0.000 0.741 227 G HN 0.562 nan 8.290 nan 0.000 0.508 228 I N -2.560 117.963 120.570 -0.078 0.000 4.009 228 I HA 0.278 4.448 4.170 -0.000 0.000 0.331 228 I C 2.020 178.095 176.117 -0.069 0.000 1.462 228 I CA 0.428 61.689 61.300 -0.065 0.000 1.117 228 I CB 0.286 38.246 38.000 -0.067 0.000 1.091 228 I HN 0.171 nan 8.210 nan 0.000 0.410 229 Q N 2.115 121.868 119.800 -0.078 0.000 2.181 229 Q HA -0.137 4.203 4.340 -0.000 0.000 0.205 229 Q C 1.738 177.716 176.000 -0.037 0.000 0.980 229 Q CA 2.280 58.043 55.803 -0.067 0.000 0.862 229 Q CB -1.125 27.572 28.738 -0.068 0.000 0.905 229 Q HN 0.558 nan 8.270 nan 0.000 0.429 230 G N 1.488 110.271 108.800 -0.029 0.000 2.421 230 G HA2 0.033 3.993 3.960 -0.000 0.000 0.216 230 G HA3 0.033 3.993 3.960 -0.000 0.000 0.216 230 G C 0.884 175.779 174.900 -0.008 0.000 1.171 230 G CA 1.155 46.246 45.100 -0.015 0.000 0.775 230 G HN 0.694 nan 8.290 nan 0.000 0.543 234 V N 1.396 121.320 119.914 0.016 0.000 2.343 234 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 234 V C 2.426 178.534 176.094 0.024 0.000 1.051 234 V CA 2.291 64.602 62.300 0.018 0.000 1.036 234 V CB -0.733 31.098 31.823 0.013 0.000 0.654 234 V HN 0.555 nan 8.190 nan 0.000 0.451 235 L N -0.842 120.399 121.223 0.030 0.000 2.362 235 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 235 L C 1.772 178.672 176.870 0.050 0.000 1.134 235 L CA 1.121 55.987 54.840 0.043 0.000 0.807 235 L CB -0.208 41.883 42.059 0.053 0.000 0.927 235 L HN 0.327 nan 8.230 nan 0.000 0.447 236 L N -1.238 120.011 121.223 0.043 0.000 2.728 236 L HA 0.064 4.404 4.340 -0.000 0.000 0.238 236 L C 2.131 179.021 176.870 0.034 0.000 1.143 236 L CA -0.064 54.803 54.840 0.046 0.000 0.937 236 L CB -0.067 42.017 42.059 0.042 0.000 1.225 236 L HN 0.089 nan 8.230 nan 0.000 0.507 237 K N 0.709 121.127 120.400 0.030 0.000 2.097 237 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 237 K C 0.908 177.528 176.600 0.033 0.000 1.049 237 K CA 1.490 57.793 56.287 0.026 0.000 0.933 237 K CB 0.260 32.774 32.500 0.024 0.000 0.717 237 K HN 0.302 nan 8.250 nan 0.000 0.442 238 D N -0.139 120.282 120.400 0.034 0.000 2.271 238 D HA -0.011 4.629 4.640 -0.000 0.000 0.206 238 D C 1.608 177.950 176.300 0.070 0.000 0.967 238 D CA 0.707 54.733 54.000 0.044 0.000 0.867 238 D CB 0.073 40.903 40.800 0.050 0.000 0.960 238 D HN 0.224 nan 8.370 nan 0.000 0.509 239 A N 0.964 123.830 122.820 0.075 0.000 2.067 239 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 239 A C 2.128 179.841 177.584 0.216 0.000 1.158 239 A CA 0.429 52.534 52.037 0.114 0.000 0.661 239 A CB -0.632 18.424 19.000 0.092 0.000 0.801 239 A HN 0.254 nan 8.150 nan 0.000 0.452 240 I N -0.502 120.143 120.570 0.124 0.000 3.001 240 I HA -0.066 4.104 4.170 -0.000 0.000 0.268 240 I C -0.365 175.846 176.117 0.157 0.000 1.267 240 I CA 0.165 61.528 61.300 0.105 0.000 1.472 240 I CB -0.138 37.763 38.000 -0.166 0.000 1.089 240 I HN 0.175 nan 8.210 nan 0.000 0.468 241 N N 3.234 121.989 118.700 0.091 0.000 2.444 241 N HA 0.259 4.999 4.740 -0.000 0.000 0.271 241 N C -2.435 172.849 175.510 -0.377 0.000 1.069 241 N CA -1.573 51.490 53.050 0.022 0.000 0.965 241 N CB 0.642 39.227 38.487 0.164 0.000 1.092 241 N HN 0.085 nan 8.380 nan 0.000 0.476 242 P HA 0.105 nan 4.420 nan 0.000 0.274 242 P C -0.714 176.413 177.300 -0.289 0.000 1.237 242 P CA -0.293 62.348 63.100 -0.765 0.000 0.793 242 P CB 0.971 32.477 31.700 -0.325 0.000 0.977 243 N N 1.496 120.081 118.700 -0.192 0.000 2.419 243 N HA 0.273 5.013 4.740 -0.000 0.000 0.277 243 N C -0.584 174.958 175.510 0.054 0.000 1.006 243 N CA -0.462 52.523 53.050 -0.108 0.000 0.923 243 N CB 1.077 39.431 38.487 -0.220 0.000 1.140 243 N HN 0.325 nan 8.380 nan 0.000 0.488 244 L N 3.850 125.105 121.223 0.052 0.000 2.264 244 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 244 L C -0.016 176.941 176.870 0.145 0.000 1.044 244 L CA -0.332 54.564 54.840 0.093 0.000 0.807 244 L CB 0.811 42.906 42.059 0.060 0.000 1.192 244 L HN 0.403 nan 8.230 nan 0.000 0.425 245 V N 2.167 122.177 119.914 0.159 0.000 3.149 245 V HA 0.748 4.868 4.120 -0.000 0.000 0.310 245 V C -1.038 175.121 176.094 0.108 0.000 1.353 245 V CA -0.549 61.849 62.300 0.164 0.000 1.040 245 V CB 1.422 33.360 31.823 0.192 0.000 1.136 245 V HN 0.916 nan 8.190 nan 0.000 0.477 246 Q N 0.073 119.924 119.800 0.085 0.000 2.501 246 Q HA 0.652 4.991 4.340 -0.000 0.000 0.288 246 Q C -0.830 175.185 176.000 0.026 0.000 1.051 246 Q CA -0.254 55.582 55.803 0.056 0.000 0.788 246 Q CB 2.042 30.817 28.738 0.062 0.000 1.469 246 Q HN 1.060 nan 8.270 nan 0.000 0.416 247 T N -1.929 112.633 114.554 0.014 0.000 2.862 247 T HA 0.240 4.590 4.350 -0.000 0.000 0.276 247 T C 1.005 175.695 174.700 -0.018 0.000 0.974 247 T CA 0.264 62.360 62.100 -0.007 0.000 0.966 247 T CB 0.944 69.808 68.868 -0.007 0.000 1.072 247 T HN 0.600 nan 8.240 nan 0.000 0.538 248 T N 0.667 115.201 114.554 -0.034 0.000 2.721 248 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 248 T C 1.357 176.037 174.700 -0.034 0.000 1.038 248 T CA 1.884 63.956 62.100 -0.046 0.000 1.145 248 T CB -0.360 68.470 68.868 -0.064 0.000 0.858 248 T HN 0.747 nan 8.240 nan 0.000 0.459 249 E N -0.190 119.996 120.200 -0.024 0.000 2.444 249 E HA 0.329 4.679 4.350 -0.000 0.000 0.191 249 E C 1.260 177.858 176.600 -0.003 0.000 1.041 249 E CA 0.047 56.438 56.400 -0.016 0.000 0.883 249 E CB 0.246 29.936 29.700 -0.017 0.000 1.024 249 E HN 0.500 nan 8.360 nan 0.000 0.470 250 G N 2.377 111.179 108.800 0.002 0.000 2.143 250 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 250 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 250 G C 0.476 175.391 174.900 0.024 0.000 0.991 250 G CA 0.612 45.722 45.100 0.017 0.000 0.689 250 G HN 0.367 nan 8.290 nan 0.000 0.522 251 T N -1.359 113.207 114.554 0.020 0.000 2.918 251 T HA 0.704 5.054 4.350 -0.000 0.000 0.283 251 T C -2.510 172.210 174.700 0.034 0.000 1.001 251 T CA -1.788 60.327 62.100 0.025 0.000 1.041 251 T CB 2.714 71.593 68.868 0.018 0.000 1.028 251 T HN 0.047 nan 8.240 nan 0.000 0.511 252 P HA 0.561 nan 4.420 nan 0.000 0.278 252 P C -1.322 176.008 177.300 0.049 0.000 1.238 252 P CA -0.550 62.580 63.100 0.050 0.000 0.794 252 P CB 0.833 32.565 31.700 0.053 0.000 0.955 253 A N 2.752 125.607 122.820 0.060 0.000 2.449 253 A HA 0.715 5.035 4.320 -0.000 0.000 0.302 253 A C -1.382 176.253 177.584 0.086 0.000 1.048 253 A CA -0.667 51.407 52.037 0.062 0.000 0.708 253 A CB 0.914 19.943 19.000 0.049 0.000 1.274 253 A HN 0.432 nan 8.150 nan 0.000 0.410 254 L N 2.662 123.938 121.223 0.089 0.000 2.313 254 L HA 0.592 4.932 4.340 -0.000 0.000 0.283 254 L C -0.894 176.061 176.870 0.142 0.000 1.013 254 L CA -0.326 54.582 54.840 0.114 0.000 0.816 254 L CB 1.592 43.712 42.059 0.101 0.000 1.236 254 L HN 0.582 nan 8.230 nan 0.000 0.419 255 I N 3.006 123.699 120.570 0.206 0.000 2.410 255 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 255 I C -0.730 175.606 176.117 0.366 0.000 1.009 255 I CA -0.426 61.026 61.300 0.254 0.000 1.111 255 I CB 1.523 39.671 38.000 0.246 0.000 1.262 255 I HN 0.643 nan 8.210 nan 0.000 0.443 256 H N 5.658 124.821 119.070 0.155 0.000 3.188 256 H HA 0.282 4.838 4.556 0.000 0.000 0.325 256 H C -1.029 174.367 175.328 0.113 0.000 1.033 256 H CA -0.289 55.839 56.048 0.133 0.000 1.443 256 H CB 1.783 31.614 29.762 0.114 0.000 1.968 256 H HN 0.931 nan 8.280 nan 0.000 0.449 257 C N 1.925 121.222 119.300 -0.005 0.000 0.168 257 C HA -0.084 4.376 4.460 -0.000 0.000 0.017 257 C C 1.076 176.072 174.990 0.010 0.000 0.171 257 C CA 0.261 59.237 59.018 -0.071 0.000 0.499 257 C CB -0.934 26.692 27.740 -0.191 0.000 3.212 257 C HN 1.158 nan 8.230 nan 0.000 1.118 258 G N 1.891 110.700 108.800 0.015 0.000 4.632 258 G HA2 0.568 4.528 3.960 -0.000 0.000 0.244 258 G HA3 0.568 4.528 3.960 -0.000 0.000 0.244 258 G C -2.167 172.764 174.900 0.052 0.000 1.070 258 G CA -0.194 44.919 45.100 0.022 0.000 0.791 258 G HN 0.698 nan 8.290 nan 0.000 0.544 259 P HA 0.241 nan 4.420 nan 0.000 0.272 259 P C -0.173 177.203 177.300 0.126 0.000 1.223 259 P CA -0.341 62.793 63.100 0.058 0.000 0.784 259 P CB 1.223 32.859 31.700 -0.107 0.000 0.923 260 F N 0.853 120.771 119.950 -0.054 0.000 2.589 260 F HA 0.137 4.664 4.527 0.000 0.000 0.352 260 F C 1.750 177.502 175.800 -0.080 0.000 1.168 260 F CA 0.150 58.120 58.000 -0.049 0.000 1.353 260 F CB -0.231 38.796 39.000 0.045 0.000 1.116 260 F HN 0.419 nan 8.300 nan 0.000 0.608 261 A N 1.964 124.729 122.820 -0.091 0.000 2.348 261 A HA 0.091 4.410 4.320 -0.000 0.000 0.224 261 A C 1.258 178.973 177.584 0.218 0.000 1.227 261 A CA 0.399 52.378 52.037 -0.097 0.000 0.885 261 A CB -0.631 18.041 19.000 -0.546 0.000 0.933 261 A HN 0.744 nan 8.150 nan 0.000 0.506 262 N N 0.968 119.870 118.700 0.336 0.000 2.523 262 N HA 0.006 4.746 4.740 -0.000 0.000 0.209 262 N C 1.324 176.973 175.510 0.232 0.000 1.039 262 N CA 1.217 54.460 53.050 0.322 0.000 1.002 262 N CB -0.874 37.814 38.487 0.334 0.000 1.270 262 N HN 0.473 nan 8.380 nan 0.000 0.481 263 I N -3.011 117.747 120.570 0.314 0.000 3.564 263 I HA 0.542 4.712 4.170 -0.000 0.000 0.294 263 I C 0.631 176.922 176.117 0.289 0.000 1.289 263 I CA -0.298 61.176 61.300 0.291 0.000 1.325 263 I CB -0.115 38.127 38.000 0.402 0.000 1.039 263 I HN 0.296 nan 8.210 nan 0.000 0.474 264 A N 1.164 124.120 122.820 0.226 0.000 2.701 264 A HA 0.465 4.785 4.320 -0.000 0.000 0.290 264 A C 0.681 178.291 177.584 0.043 0.000 1.267 264 A CA -0.078 52.073 52.037 0.191 0.000 0.709 264 A CB 0.063 19.289 19.000 0.377 0.000 1.352 264 A HN 0.418 nan 8.150 nan 0.000 0.519 265 H N -0.712 118.380 119.070 0.037 0.000 2.563 265 H HA 0.297 4.853 4.556 -0.000 0.000 0.264 265 H C 1.078 176.474 175.328 0.113 0.000 0.957 265 H CA 0.956 57.041 56.048 0.062 0.000 1.173 265 H CB -0.344 29.555 29.762 0.230 0.000 1.420 265 H HN 1.915 nan 8.280 nan 0.000 0.551 266 G N 0.950 109.604 108.800 -0.243 0.000 2.246 266 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.273 266 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.273 266 G C -0.007 174.835 174.900 -0.097 0.000 1.055 266 G CA 0.972 45.972 45.100 -0.166 0.000 0.851 266 G HN 0.823 nan 8.290 nan 0.000 0.500 267 T N -0.665 113.835 114.554 -0.090 0.000 2.787 267 T HA 0.570 4.920 4.350 -0.000 0.000 0.297 267 T C 0.528 175.267 174.700 0.064 0.000 1.221 267 T CA 0.070 62.211 62.100 0.068 0.000 1.006 267 T CB 0.843 69.899 68.868 0.313 0.000 1.328 267 T HN 0.602 nan 8.240 nan 0.000 0.509 268 N N 0.957 119.727 118.700 0.117 0.000 2.317 268 N HA 0.156 4.896 4.740 -0.000 0.000 0.245 268 N C 0.225 175.837 175.510 0.170 0.000 1.294 268 N CA -0.410 52.711 53.050 0.118 0.000 0.924 268 N CB 0.271 38.836 38.487 0.130 0.000 1.186 268 N HN 0.702 nan 8.380 nan 0.000 0.495 269 S N -0.797 114.983 115.700 0.132 0.000 2.568 269 S HA 0.027 4.497 4.470 -0.000 0.000 0.282 269 S C 1.659 176.387 174.600 0.213 0.000 1.338 269 S CA -0.661 57.623 58.200 0.140 0.000 1.045 269 S CB -0.004 63.234 63.200 0.064 0.000 0.873 269 S HN 0.651 nan 8.310 nan 0.000 0.516 270 I N 0.100 120.790 120.570 0.200 0.000 2.493 270 I HA -0.058 4.112 4.170 -0.000 0.000 0.254 270 I C 1.886 178.142 176.117 0.232 0.000 1.160 270 I CA 1.055 62.500 61.300 0.243 0.000 1.445 270 I CB -0.473 37.611 38.000 0.139 0.000 1.086 270 I HN 0.637 nan 8.210 nan 0.000 0.433 271 I N 2.074 122.772 120.570 0.214 0.000 2.179 271 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 271 I C 3.003 179.246 176.117 0.211 0.000 1.088 271 I CA 1.577 63.008 61.300 0.219 0.000 1.357 271 I CB -0.492 37.661 38.000 0.256 0.000 1.051 271 I HN 0.348 nan 8.210 nan 0.000 0.409 272 A N 0.045 123.015 122.820 0.251 0.000 1.898 272 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 272 A C 2.384 180.045 177.584 0.129 0.000 1.181 272 A CA 2.351 54.503 52.037 0.191 0.000 0.620 272 A CB -1.046 18.093 19.000 0.230 0.000 0.819 272 A HN 0.372 nan 8.150 nan 0.000 0.442 273 T N 0.347 114.976 114.554 0.126 0.000 2.777 273 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 273 T C 1.142 175.842 174.700 -0.001 0.000 1.040 273 T CA 1.251 63.367 62.100 0.026 0.000 1.141 273 T CB -0.143 68.705 68.868 -0.033 0.000 0.868 273 T HN 0.482 nan 8.240 nan 0.000 0.444 279 L N 1.740 122.983 121.223 0.035 0.000 2.664 279 L HA 0.221 4.560 4.340 -0.000 0.000 0.233 279 L C 0.464 177.367 176.870 0.055 0.000 1.113 279 L CA 0.135 55.010 54.840 0.058 0.000 0.896 279 L CB 0.688 42.793 42.059 0.077 0.000 1.163 279 L HN 0.100 nan 8.230 nan 0.000 0.497 280 S N -2.657 113.067 115.700 0.040 0.000 2.579 280 S HA 0.232 4.702 4.470 -0.000 0.000 0.272 280 S C 0.296 174.902 174.600 0.010 0.000 1.141 280 S CA -0.746 57.480 58.200 0.042 0.000 0.843 280 S CB 2.218 65.454 63.200 0.060 0.000 1.122 280 S HN 0.120 nan 8.310 nan 0.000 0.468 281 E N -0.126 120.083 120.200 0.015 0.000 2.107 281 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 281 E C -0.771 175.653 176.600 -0.292 0.000 0.982 281 E CA 0.904 57.243 56.400 -0.102 0.000 0.809 281 E CB 0.107 29.792 29.700 -0.025 0.000 0.756 281 E HN 0.676 nan 8.360 nan 0.000 0.459 282 Y N -0.055 120.248 120.300 0.005 0.000 2.363 282 Y HA 0.269 4.819 4.550 -0.000 0.000 0.325 282 Y C -0.759 175.134 175.900 -0.012 0.000 0.984 282 Y CA -0.775 57.322 58.100 -0.005 0.000 1.248 282 Y CB 2.081 40.538 38.460 -0.006 0.000 1.116 282 Y HN -0.266 nan 8.280 nan 0.000 0.470 283 T N 3.982 118.584 114.554 0.080 0.000 2.743 283 T HA 0.386 4.736 4.350 -0.000 0.000 0.293 283 T C -0.252 174.460 174.700 0.021 0.000 0.945 283 T CA -0.484 61.635 62.100 0.032 0.000 1.030 283 T CB 0.488 69.343 68.868 -0.022 0.000 0.912 283 T HN 0.247 nan 8.240 nan 0.000 0.483 284 V N 4.981 124.903 119.914 0.014 0.000 2.333 284 V HA 0.414 4.534 4.120 -0.000 0.000 0.274 284 V C 0.291 176.356 176.094 -0.049 0.000 1.028 284 V CA -0.523 61.766 62.300 -0.018 0.000 0.851 284 V CB 1.152 32.969 31.823 -0.010 0.000 1.000 284 V HN 0.939 nan 8.190 nan 0.000 0.456 285 T N 5.007 119.498 114.554 -0.106 0.000 2.841 285 T HA 0.453 4.803 4.350 -0.000 0.000 0.285 285 T C -0.318 174.263 174.700 -0.198 0.000 0.991 285 T CA -0.635 61.393 62.100 -0.120 0.000 0.966 285 T CB 1.508 70.304 68.868 -0.119 0.000 0.962 285 T HN 0.889 nan 8.240 nan 0.000 0.438 286 E N 2.016 122.138 120.200 -0.130 0.000 2.227 286 E HA 0.786 5.136 4.350 -0.000 0.000 0.268 286 E C -0.943 175.583 176.600 -0.124 0.000 0.990 286 E CA -1.215 55.094 56.400 -0.150 0.000 0.856 286 E CB 1.506 31.144 29.700 -0.104 0.000 1.159 286 E HN 0.576 nan 8.360 nan 0.000 0.401 287 A N 1.467 124.207 122.820 -0.133 0.000 2.386 287 A HA 0.668 4.988 4.320 -0.000 0.000 0.311 287 A C 0.119 177.650 177.584 -0.089 0.000 1.068 287 A CA -0.346 51.655 52.037 -0.060 0.000 0.743 287 A CB 1.435 20.426 19.000 -0.015 0.000 1.258 287 A HN 0.730 nan 8.150 nan 0.000 0.429 288 G N 0.311 109.029 108.800 -0.137 0.000 2.594 288 G HA2 0.499 4.458 3.960 -0.000 0.000 0.243 288 G HA3 0.499 4.458 3.960 -0.000 0.000 0.243 288 G C -0.009 174.804 174.900 -0.144 0.000 1.229 288 G CA 0.299 45.224 45.100 -0.291 0.000 0.843 288 G HN 0.894 nan 8.290 nan 0.000 0.578 289 F N -1.157 118.756 119.950 -0.062 0.000 2.180 289 F HA -0.162 4.365 4.527 -0.000 0.000 0.317 289 F C 1.563 177.324 175.800 -0.065 0.000 0.129 289 F CA 0.466 58.432 58.000 -0.057 0.000 0.910 289 F CB -1.422 37.557 39.000 -0.034 0.000 4.124 289 F HN 0.930 nan 8.300 nan 0.000 0.145 290 G N -0.524 108.381 108.800 0.176 0.000 2.616 290 G HA2 0.544 4.504 3.960 -0.000 0.000 0.268 290 G HA3 0.544 4.504 3.960 -0.000 0.000 0.268 290 G C 0.678 175.572 174.900 -0.011 0.000 1.213 290 G CA -0.150 44.933 45.100 -0.029 0.000 0.926 290 G HN 1.311 nan 8.290 nan 0.000 0.523 291 A N -0.243 122.473 122.820 -0.174 0.000 2.125 291 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 291 A C 1.933 179.658 177.584 0.234 0.000 1.156 291 A CA 1.927 53.978 52.037 0.023 0.000 0.671 291 A CB -0.324 18.690 19.000 0.024 0.000 0.794 291 A HN 0.715 nan 8.150 nan 0.000 0.459 292 D N -0.436 120.163 120.400 0.332 0.000 2.269 292 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 292 D C 1.573 178.104 176.300 0.385 0.000 0.963 292 D CA 0.756 55.002 54.000 0.411 0.000 0.864 292 D CB -0.130 40.955 40.800 0.475 0.000 0.936 292 D HN 0.503 nan 8.370 nan 0.000 0.505 293 L N -0.038 121.355 121.223 0.285 0.000 2.924 293 L HA 0.271 4.611 4.340 -0.000 0.000 0.172 293 L C 2.753 179.750 176.870 0.212 0.000 1.292 293 L CA 0.657 55.658 54.840 0.267 0.000 0.870 293 L CB -0.852 41.386 42.059 0.297 0.000 1.305 293 L HN 0.055 nan 8.230 nan 0.000 0.535 294 G N -0.029 108.877 108.800 0.176 0.000 2.476 294 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 294 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 294 G C 1.604 176.577 174.900 0.122 0.000 1.164 294 G CA 1.158 46.329 45.100 0.118 0.000 0.768 294 G HN 0.468 nan 8.290 nan 0.000 0.560 295 A N 0.180 123.045 122.820 0.075 0.000 1.897 295 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 295 A C 2.202 179.754 177.584 -0.054 0.000 1.181 295 A CA 1.911 53.950 52.037 0.004 0.000 0.620 295 A CB -0.405 18.587 19.000 -0.014 0.000 0.821 295 A HN 0.365 nan 8.150 nan 0.000 0.443 296 E N 0.812 121.037 120.200 0.043 0.000 2.058 296 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 296 E C 1.827 178.442 176.600 0.026 0.000 0.997 296 E CA 1.714 58.133 56.400 0.032 0.000 0.801 296 E CB -0.248 29.608 29.700 0.261 0.000 0.746 296 E HN 0.635 nan 8.360 nan 0.000 0.450 297 K N -0.558 119.920 120.400 0.129 0.000 2.147 297 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 297 K C 2.164 178.873 176.600 0.181 0.000 1.049 297 K CA 1.231 57.622 56.287 0.173 0.000 0.936 297 K CB -0.325 32.283 32.500 0.180 0.000 0.722 297 K HN 0.106 nan 8.250 nan 0.000 0.446 298 F N 1.408 121.364 119.950 0.010 0.000 2.146 298 F HA -0.190 4.337 4.527 0.000 0.000 0.298 298 F C 1.831 177.581 175.800 -0.082 0.000 1.096 298 F CA 1.142 59.143 58.000 0.001 0.000 1.275 298 F CB 0.153 39.129 39.000 -0.041 0.000 1.008 298 F HN -0.101 nan 8.300 nan 0.000 0.480 299 I N -0.113 120.413 120.570 -0.074 0.000 2.296 299 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 299 I C 1.853 177.963 176.117 -0.012 0.000 1.087 299 I CA 1.203 62.364 61.300 -0.231 0.000 1.393 299 I CB -1.315 36.241 38.000 -0.740 0.000 1.093 299 I HN 0.077 nan 8.210 nan 0.000 0.421 300 D N -0.171 120.207 120.400 -0.036 0.000 2.224 300 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 300 D C 1.744 178.036 176.300 -0.014 0.000 0.965 300 D CA 1.128 55.086 54.000 -0.070 0.000 0.852 300 D CB 0.235 40.891 40.800 -0.242 0.000 0.947 300 D HN 0.268 nan 8.370 nan 0.000 0.494 301 F N 0.008 119.889 119.950 -0.115 0.000 2.495 301 F HA 0.050 4.577 4.527 -0.000 0.000 0.271 301 F C 1.968 177.644 175.800 -0.207 0.000 0.889 301 F CA 0.164 58.099 58.000 -0.108 0.000 1.129 301 F CB -0.478 38.490 39.000 -0.053 0.000 1.169 301 F HN -0.308 nan 8.300 nan 0.000 0.781 302 V N 0.309 119.963 119.914 -0.434 0.000 2.332 302 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 302 V C 2.420 178.039 176.094 -0.791 0.000 1.055 302 V CA 2.324 64.211 62.300 -0.689 0.000 1.038 302 V CB -1.215 30.318 31.823 -0.483 0.000 0.651 302 V HN 0.420 nan 8.190 nan 0.000 0.450 303 S N -0.542 114.761 115.700 -0.661 0.000 2.382 303 S HA -0.196 4.274 4.470 -0.000 0.000 0.228 303 S C 2.117 176.373 174.600 -0.573 0.000 1.027 303 S CA 1.584 59.397 58.200 -0.644 0.000 0.991 303 S CB -0.286 62.834 63.200 -0.134 0.000 0.823 303 S HN 0.547 nan 8.310 nan 0.000 0.469 304 R N 0.356 120.603 120.500 -0.421 0.000 2.115 304 R HA 0.051 4.391 4.340 -0.000 0.000 0.226 304 R C 2.104 178.148 176.300 -0.426 0.000 1.100 304 R CA 0.749 56.623 56.100 -0.377 0.000 0.980 304 R CB -0.362 29.709 30.300 -0.383 0.000 0.875 304 R HN 0.225 nan 8.270 nan 0.000 0.445 305 V N -0.309 119.259 119.914 -0.577 0.000 2.358 305 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 305 V C 2.159 177.969 176.094 -0.473 0.000 1.047 305 V CA 2.120 64.112 62.300 -0.514 0.000 1.035 305 V CB -0.569 30.854 31.823 -0.668 0.000 0.658 305 V HN 0.528 nan 8.190 nan 0.000 0.452 306 G N -0.990 107.373 108.800 -0.727 0.000 2.683 306 G HA2 0.296 4.256 3.960 -0.000 0.000 0.213 306 G HA3 0.296 4.256 3.960 -0.000 0.000 0.213 306 G C 1.220 175.724 174.900 -0.660 0.000 1.142 306 G CA 0.651 45.261 45.100 -0.816 0.000 0.793 306 G HN 1.031 nan 8.290 nan 0.000 0.534 307 G N -0.535 107.912 108.800 -0.588 0.000 2.225 307 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.264 307 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.264 307 G C 0.054 174.905 174.900 -0.082 0.000 1.060 307 G CA 0.433 45.388 45.100 -0.242 0.000 0.833 307 G HN 1.146 nan 8.290 nan 0.000 0.498 308 F N -2.657 117.317 119.950 0.039 0.000 2.706 308 F HA 0.918 5.445 4.527 0.000 0.000 0.328 308 F C -0.658 175.264 175.800 0.204 0.000 1.123 308 F CA -3.691 54.368 58.000 0.098 0.000 0.978 308 F CB 1.140 40.182 39.000 0.070 0.000 1.404 308 F HN 0.159 nan 8.300 nan 0.000 0.497 309 Y N 0.404 120.958 120.300 0.424 0.000 2.480 309 Y HA 0.567 5.117 4.550 -0.000 0.000 0.329 309 Y C -2.973 173.063 175.900 0.226 0.000 1.127 309 Y CA -2.188 56.093 58.100 0.302 0.000 1.037 309 Y CB 2.328 40.879 38.460 0.153 0.000 1.320 309 Y HN 0.433 nan 8.280 nan 0.000 0.446 310 P HA 0.236 nan 4.420 nan 0.000 0.269 310 P C -0.672 176.735 177.300 0.177 0.000 1.215 310 P CA 0.221 63.379 63.100 0.096 0.000 0.780 310 P CB 0.852 32.528 31.700 -0.041 0.000 0.898 311 N N -0.048 118.718 118.700 0.111 0.000 2.282 311 N HA 0.362 5.102 4.740 -0.000 0.000 0.185 311 N C -0.118 175.447 175.510 0.092 0.000 1.099 311 N CA -0.011 53.104 53.050 0.109 0.000 0.878 311 N CB 0.440 38.971 38.487 0.073 0.000 0.993 311 N HN 0.426 nan 8.380 nan 0.000 0.481 312 A N -0.136 122.723 122.820 0.065 0.000 2.597 312 A HA 0.792 5.112 4.320 -0.000 0.000 0.292 312 A C -1.806 175.779 177.584 0.001 0.000 1.057 312 A CA -0.678 51.387 52.037 0.047 0.000 0.674 312 A CB 0.684 19.718 19.000 0.056 0.000 1.278 312 A HN 0.048 nan 8.150 nan 0.000 0.416 313 A N 0.358 123.177 122.820 -0.001 0.000 2.342 313 A HA 0.720 5.040 4.320 -0.000 0.000 0.323 313 A C -0.893 176.675 177.584 -0.026 0.000 1.125 313 A CA -0.502 51.513 52.037 -0.037 0.000 0.785 313 A CB 1.258 20.245 19.000 -0.022 0.000 1.221 313 A HN 1.524 nan 8.150 nan 0.000 0.463 314 V N 3.046 122.930 119.914 -0.050 0.000 2.370 314 V HA 0.334 4.454 4.120 -0.000 0.000 0.283 314 V C -0.576 175.489 176.094 -0.048 0.000 1.023 314 V CA -0.375 61.901 62.300 -0.040 0.000 0.857 314 V CB 1.194 32.990 31.823 -0.045 0.000 0.985 314 V HN 0.753 nan 8.190 nan 0.000 0.443 315 L N 7.379 128.581 121.223 -0.034 0.000 2.272 315 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 315 L C -0.138 176.706 176.870 -0.042 0.000 1.045 315 L CA 0.208 55.021 54.840 -0.045 0.000 0.842 315 L CB 1.266 43.307 42.059 -0.031 0.000 1.224 315 L HN 0.450 nan 8.230 nan 0.000 0.430 316 V N 5.134 125.017 119.914 -0.052 0.000 2.555 316 V HA 0.697 4.817 4.120 -0.000 0.000 0.286 316 V C 0.629 176.701 176.094 -0.037 0.000 1.044 316 V CA 0.234 62.512 62.300 -0.037 0.000 1.026 316 V CB 0.475 32.276 31.823 -0.037 0.000 0.981 316 V HN 0.942 nan 8.190 nan 0.000 0.480 317 A N 4.008 126.820 122.820 -0.013 0.000 2.556 317 A HA 0.969 5.289 4.320 -0.000 0.000 0.294 317 A C -0.223 177.373 177.584 0.020 0.000 1.091 317 A CA -0.284 51.754 52.037 0.001 0.000 0.704 317 A CB 2.325 21.327 19.000 0.003 0.000 1.300 317 A HN 0.912 nan 8.150 nan 0.000 0.406 318 T N -1.906 112.665 114.554 0.028 0.000 2.906 318 T HA 0.505 4.855 4.350 -0.000 0.000 0.295 318 T C 0.696 175.434 174.700 0.064 0.000 1.061 318 T CA -0.139 61.981 62.100 0.034 0.000 1.000 318 T CB 1.037 69.894 68.868 -0.019 0.000 1.103 318 T HN 0.718 nan 8.240 nan 0.000 0.486 319 V N 1.885 121.848 119.914 0.081 0.000 2.324 319 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 319 V C 2.939 179.079 176.094 0.076 0.000 1.060 319 V CA 1.964 64.326 62.300 0.103 0.000 1.042 319 V CB -0.826 31.063 31.823 0.110 0.000 0.650 319 V HN 0.860 nan 8.190 nan 0.000 0.450 320 R N -0.163 120.352 120.500 0.025 0.000 2.081 320 R HA -0.111 4.228 4.340 -0.000 0.000 0.235 320 R C 2.413 178.724 176.300 0.018 0.000 1.131 320 R CA 1.457 57.551 56.100 -0.010 0.000 0.960 320 R CB -0.568 29.662 30.300 -0.117 0.000 0.856 320 R HN 0.548 nan 8.270 nan 0.000 0.436 321 A N 1.099 123.927 122.820 0.015 0.000 1.930 321 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 321 A C 2.143 179.837 177.584 0.183 0.000 1.175 321 A CA 1.041 53.108 52.037 0.049 0.000 0.627 321 A CB -0.415 18.618 19.000 0.054 0.000 0.815 321 A HN 0.158 nan 8.150 nan 0.000 0.443 322 L N -0.848 120.481 121.223 0.176 0.000 2.072 322 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 322 L C 2.533 179.516 176.870 0.189 0.000 1.079 322 L CA 1.495 56.467 54.840 0.220 0.000 0.752 322 L CB -0.511 41.675 42.059 0.212 0.000 0.906 322 L HN 0.360 nan 8.230 nan 0.000 0.436 323 K N -0.606 119.873 120.400 0.132 0.000 2.097 323 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 323 K C 2.122 178.761 176.600 0.065 0.000 1.049 323 K CA 1.583 57.920 56.287 0.082 0.000 0.933 323 K CB -0.312 32.217 32.500 0.047 0.000 0.717 323 K HN 0.174 nan 8.250 nan 0.000 0.442 324 Y N 1.231 121.491 120.300 -0.066 0.000 2.128 324 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 324 Y C 2.200 177.995 175.900 -0.175 0.000 1.154 324 Y CA 1.640 59.647 58.100 -0.156 0.000 1.149 324 Y CB -0.055 38.254 38.460 -0.253 0.000 0.976 324 Y HN 0.180 nan 8.280 nan 0.000 0.505 325 H N -1.123 118.029 119.070 0.137 0.000 2.546 325 H HA 0.040 4.596 4.556 -0.000 0.000 0.277 325 H C 2.003 177.325 175.328 -0.009 0.000 1.004 325 H CA 0.990 57.071 56.048 0.056 0.000 1.231 325 H CB -0.312 29.511 29.762 0.102 0.000 1.382 325 H HN 0.517 nan 8.280 nan 0.000 0.580 326 G N -1.104 107.738 108.800 0.070 0.000 3.088 326 G HA2 0.250 4.210 3.960 -0.000 0.000 0.217 326 G HA3 0.250 4.210 3.960 -0.000 0.000 0.217 326 G C 1.204 176.080 174.900 -0.040 0.000 1.159 326 G CA 0.442 45.564 45.100 0.036 0.000 0.760 326 G HN 0.526 nan 8.290 nan 0.000 0.550 327 G N -1.152 107.575 108.800 -0.122 0.000 2.179 327 G HA2 0.150 4.110 3.960 -0.000 0.000 0.220 327 G HA3 0.150 4.110 3.960 -0.000 0.000 0.220 327 G C 0.577 175.368 174.900 -0.181 0.000 0.990 327 G CA 0.124 45.118 45.100 -0.176 0.000 0.646 327 G HN 1.272 nan 8.290 nan 0.000 0.517 328 A N 0.275 123.009 122.820 -0.144 0.000 2.483 328 A HA 0.517 4.837 4.320 -0.000 0.000 0.238 328 A C 0.649 178.160 177.584 -0.123 0.000 1.070 328 A CA 0.106 52.081 52.037 -0.103 0.000 0.770 328 A CB 0.188 19.158 19.000 -0.050 0.000 1.008 328 A HN 0.391 nan 8.150 nan 0.000 0.497 329 N N 0.670 119.325 118.700 -0.075 0.000 2.518 329 N HA 0.041 4.781 4.740 -0.000 0.000 0.266 329 N C 0.991 176.521 175.510 0.033 0.000 1.196 329 N CA -0.294 52.734 53.050 -0.035 0.000 0.947 329 N CB 1.039 39.511 38.487 -0.026 0.000 1.098 329 N HN 0.627 nan 8.380 nan 0.000 0.450 330 L N 3.997 125.278 121.223 0.097 0.000 2.127 330 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 330 L C 2.212 179.121 176.870 0.066 0.000 1.089 330 L CA 1.745 56.652 54.840 0.112 0.000 0.757 330 L CB -0.304 41.820 42.059 0.108 0.000 0.899 330 L HN 0.631 nan 8.230 nan 0.000 0.434 331 K N -1.643 118.790 120.400 0.054 0.000 2.288 331 K HA -0.076 4.244 4.320 -0.000 0.000 0.201 331 K C 0.786 177.452 176.600 0.109 0.000 1.048 331 K CA 1.791 58.121 56.287 0.071 0.000 0.956 331 K CB -0.366 32.163 32.500 0.047 0.000 0.746 331 K HN 0.426 nan 8.250 nan 0.000 0.461 332 N N 0.068 118.781 118.700 0.023 0.000 2.235 332 N HA 0.127 4.867 4.740 -0.000 0.000 0.231 332 N C 0.587 175.955 175.510 -0.237 0.000 1.177 332 N CA -0.234 52.740 53.050 -0.127 0.000 0.874 332 N CB 0.538 38.959 38.487 -0.110 0.000 1.097 332 N HN 0.006 nan 8.380 nan 0.000 0.518 333 I N 1.622 122.157 120.570 -0.059 0.000 2.676 333 I HA -0.204 3.966 4.170 -0.000 0.000 0.259 333 I C 2.112 178.206 176.117 -0.038 0.000 1.194 333 I CA 1.210 62.492 61.300 -0.031 0.000 1.473 333 I CB -0.168 37.843 38.000 0.020 0.000 1.096 333 I HN 0.376 nan 8.210 nan 0.000 0.443 334 H N -0.606 118.479 119.070 0.024 0.000 2.555 334 H HA 0.164 4.720 4.556 -0.000 0.000 0.269 334 H C 0.051 175.410 175.328 0.052 0.000 0.988 334 H CA -0.013 56.071 56.048 0.060 0.000 1.178 334 H CB -0.550 29.259 29.762 0.080 0.000 1.373 334 H HN 0.346 nan 8.280 nan 0.000 0.588 335 E N 1.829 121.751 120.200 -0.464 0.000 2.266 335 E HA 0.128 4.478 4.350 -0.000 0.000 0.277 335 E C -0.373 176.157 176.600 -0.115 0.000 1.018 335 E CA -0.637 55.603 56.400 -0.266 0.000 0.840 335 E CB 1.844 31.348 29.700 -0.326 0.000 1.082 335 E HN 0.315 nan 8.360 nan 0.000 0.395 336 E N 2.410 122.577 120.200 -0.056 0.000 2.452 336 E HA -0.069 4.281 4.350 -0.000 0.000 0.261 336 E C -0.641 175.928 176.600 -0.052 0.000 0.987 336 E CA 0.196 56.575 56.400 -0.034 0.000 0.926 336 E CB 0.390 30.079 29.700 -0.019 0.000 0.934 336 E HN 0.327 nan 8.360 nan 0.000 0.452 337 N N 4.828 123.499 118.700 -0.048 0.000 2.932 337 N HA 0.063 4.803 4.740 -0.000 0.000 0.242 337 N C -0.242 175.225 175.510 -0.072 0.000 1.351 337 N CA -0.183 52.831 53.050 -0.059 0.000 0.785 337 N CB 0.324 38.778 38.487 -0.056 0.000 1.501 337 N HN 0.536 nan 8.380 nan 0.000 0.584 338 L N 0.760 121.920 121.223 -0.105 0.000 2.376 338 L HA 0.086 4.426 4.340 -0.000 0.000 0.219 338 L C 1.824 178.574 176.870 -0.201 0.000 1.133 338 L CA 0.714 55.440 54.840 -0.190 0.000 0.816 338 L CB 0.106 42.031 42.059 -0.223 0.000 0.933 338 L HN 0.409 nan 8.230 nan 0.000 0.449 339 E N 0.554 120.682 120.200 -0.120 0.000 2.122 339 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 339 E C 2.213 178.784 176.600 -0.048 0.000 0.977 339 E CA 1.118 57.465 56.400 -0.088 0.000 0.820 339 E CB 0.017 29.679 29.700 -0.063 0.000 0.770 339 E HN 0.324 nan 8.360 nan 0.000 0.462 340 A N 0.260 123.058 122.820 -0.038 0.000 1.968 340 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 340 A C 2.061 179.667 177.584 0.037 0.000 1.169 340 A CA 1.080 53.113 52.037 -0.007 0.000 0.638 340 A CB -0.524 18.464 19.000 -0.020 0.000 0.812 340 A HN 0.343 nan 8.150 nan 0.000 0.446 341 L N 0.151 121.385 121.223 0.018 0.000 2.056 341 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 341 L C 2.281 179.266 176.870 0.192 0.000 1.078 341 L CA 2.538 57.434 54.840 0.093 0.000 0.749 341 L CB -0.529 41.546 42.059 0.028 0.000 0.901 341 L HN 0.465 nan 8.230 nan 0.000 0.433 342 K N -0.754 119.685 120.400 0.066 0.000 2.057 342 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 342 K C 2.092 178.821 176.600 0.216 0.000 1.049 342 K CA 1.657 58.050 56.287 0.177 0.000 0.931 342 K CB -0.073 32.434 32.500 0.013 0.000 0.714 342 K HN 0.318 nan 8.250 nan 0.000 0.440 343 E N 0.015 120.294 120.200 0.132 0.000 2.072 343 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 343 E C 1.785 178.479 176.600 0.158 0.000 0.982 343 E CA 1.671 58.142 56.400 0.119 0.000 0.803 343 E CB -0.512 29.225 29.700 0.062 0.000 0.755 343 E HN 0.438 nan 8.360 nan 0.000 0.453 344 G N -0.679 108.229 108.800 0.180 0.000 2.471 344 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 344 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 344 G C 1.372 176.396 174.900 0.206 0.000 1.125 344 G CA 0.448 45.672 45.100 0.206 0.000 0.775 344 G HN 0.374 nan 8.290 nan 0.000 0.548 345 F N 1.444 121.469 119.950 0.125 0.000 2.333 345 F HA 0.078 4.605 4.527 0.000 0.000 0.300 345 F C 2.482 178.320 175.800 0.063 0.000 1.083 345 F CA 1.116 59.181 58.000 0.108 0.000 1.395 345 F CB 0.116 39.196 39.000 0.133 0.000 1.056 345 F HN 0.050 nan 8.300 nan 0.000 0.529 346 K N 0.065 120.563 120.400 0.163 0.000 2.152 346 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 346 K C 2.072 178.625 176.600 -0.079 0.000 1.048 346 K CA 1.315 57.640 56.287 0.063 0.000 0.933 346 K CB -0.487 32.058 32.500 0.076 0.000 0.721 346 K HN 0.359 nan 8.250 nan 0.000 0.447 347 N N 1.579 120.214 118.700 -0.108 0.000 2.084 347 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 347 N C 1.907 177.323 175.510 -0.158 0.000 1.030 347 N CA 0.949 53.881 53.050 -0.196 0.000 0.849 347 N CB -0.017 38.264 38.487 -0.343 0.000 1.012 347 N HN 0.172 nan 8.380 nan 0.000 0.423 348 L N 1.460 122.544 121.223 -0.232 0.000 2.042 348 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 348 L C 2.864 179.553 176.870 -0.301 0.000 1.076 348 L CA 1.197 55.857 54.840 -0.300 0.000 0.749 348 L CB -0.358 41.314 42.059 -0.643 0.000 0.893 348 L HN 0.180 nan 8.230 nan 0.000 0.432 349 R N -0.612 119.660 120.500 -0.379 0.000 2.083 349 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 349 R C 2.090 178.329 176.300 -0.102 0.000 1.137 349 R CA 2.144 58.141 56.100 -0.171 0.000 0.951 349 R CB -0.421 29.862 30.300 -0.029 0.000 0.851 349 R HN 0.338 nan 8.270 nan 0.000 0.434 350 V N 0.972 120.799 119.914 -0.146 0.000 2.332 350 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 350 V C 2.330 178.321 176.094 -0.172 0.000 1.055 350 V CA 1.968 64.162 62.300 -0.175 0.000 1.038 350 V CB -0.741 30.925 31.823 -0.261 0.000 0.651 350 V HN 0.471 nan 8.190 nan 0.000 0.450 351 H N -0.748 118.294 119.070 -0.046 0.000 2.357 351 H HA -0.061 4.495 4.556 -0.000 0.000 0.301 351 H C 2.429 177.753 175.328 -0.006 0.000 1.082 351 H CA 1.743 57.782 56.048 -0.016 0.000 1.342 351 H CB -0.370 29.373 29.762 -0.033 0.000 1.389 351 H HN 0.312 nan 8.280 nan 0.000 0.511 352 V N 1.418 121.376 119.914 0.073 0.000 2.287 352 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 352 V C 2.283 178.400 176.094 0.038 0.000 1.053 352 V CA 1.849 64.176 62.300 0.044 0.000 1.027 352 V CB -0.412 31.418 31.823 0.011 0.000 0.646 352 V HN 0.426 nan 8.190 nan 0.000 0.447 353 E N 0.109 120.316 120.200 0.011 0.000 2.085 353 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 353 E C 2.130 178.719 176.600 -0.019 0.000 0.994 353 E CA 1.489 57.884 56.400 -0.007 0.000 0.801 353 E CB -0.239 29.446 29.700 -0.024 0.000 0.743 353 E HN 0.564 nan 8.360 nan 0.000 0.453 354 N N 0.728 119.426 118.700 -0.004 0.000 2.120 354 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 354 N C 1.901 177.432 175.510 0.034 0.000 1.024 354 N CA 0.778 53.819 53.050 -0.016 0.000 0.852 354 N CB -0.265 38.259 38.487 0.061 0.000 1.003 354 N HN 0.133 nan 8.380 nan 0.000 0.424 355 L N 0.597 121.913 121.223 0.155 0.000 2.083 355 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 355 L C 2.201 179.188 176.870 0.195 0.000 1.083 355 L CA 1.107 56.104 54.840 0.262 0.000 0.752 355 L CB -0.172 41.991 42.059 0.173 0.000 0.899 355 L HN 0.133 nan 8.230 nan 0.000 0.433 356 R N -0.137 120.408 120.500 0.076 0.000 2.189 356 R HA -0.101 4.239 4.340 -0.000 0.000 0.218 356 R C 2.125 178.413 176.300 -0.019 0.000 1.074 356 R CA 0.668 56.794 56.100 0.043 0.000 0.991 356 R CB -0.100 30.212 30.300 0.020 0.000 0.883 356 R HN 0.324 nan 8.270 nan 0.000 0.457 357 K N -0.100 120.220 120.400 -0.134 0.000 2.211 357 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 357 K C 0.818 177.223 176.600 -0.324 0.000 1.047 357 K CA 1.121 57.235 56.287 -0.289 0.000 0.935 357 K CB -0.001 32.233 32.500 -0.443 0.000 0.728 357 K HN 0.148 nan 8.250 nan 0.000 0.452 358 F N 0.492 120.463 119.950 0.035 0.000 2.732 358 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 358 F C 0.582 176.449 175.800 0.112 0.000 1.110 358 F CA -0.318 57.724 58.000 0.069 0.000 1.355 358 F CB -0.248 38.787 39.000 0.058 0.000 1.081 358 F HN 0.031 nan 8.300 nan 0.000 0.565 359 N N 0.690 119.497 118.700 0.178 0.000 2.829 359 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 359 N C -0.666 174.940 175.510 0.160 0.000 1.090 359 N CA 0.343 53.468 53.050 0.125 0.000 0.781 359 N CB -1.456 37.080 38.487 0.082 0.000 1.124 359 N HN 0.238 nan 8.380 nan 0.000 0.559 360 L N 0.950 122.285 121.223 0.185 0.000 2.292 360 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 360 L C -1.661 175.269 176.870 0.100 0.000 1.065 360 L CA -1.670 53.262 54.840 0.154 0.000 0.806 360 L CB 0.828 42.972 42.059 0.141 0.000 1.175 360 L HN -0.059 nan 8.230 nan 0.000 0.431 361 P HA 0.077 nan 4.420 nan 0.000 0.268 361 P C -0.832 176.499 177.300 0.052 0.000 1.204 361 P CA -0.112 63.025 63.100 0.061 0.000 0.768 361 P CB 0.791 32.526 31.700 0.057 0.000 0.842 362 V N 4.221 124.161 119.914 0.044 0.000 2.513 362 V HA 0.374 4.494 4.120 -0.000 0.000 0.299 362 V C 0.071 176.181 176.094 0.026 0.000 1.035 362 V CA -0.640 61.681 62.300 0.034 0.000 0.889 362 V CB 2.206 34.052 31.823 0.039 0.000 0.988 362 V HN 0.223 nan 8.190 nan 0.000 0.440 363 V N 4.909 124.833 119.914 0.015 0.000 2.487 363 V HA 0.403 4.523 4.120 -0.000 0.000 0.298 363 V C -0.138 175.959 176.094 0.005 0.000 1.028 363 V CA -0.746 61.561 62.300 0.011 0.000 0.860 363 V CB 1.957 33.783 31.823 0.004 0.000 0.991 363 V HN 0.601 nan 8.190 nan 0.000 0.427 364 V N 4.201 124.122 119.914 0.013 0.000 2.455 364 V HA 0.515 4.635 4.120 -0.000 0.000 0.273 364 V C 0.757 176.857 176.094 0.011 0.000 1.045 364 V CA -0.095 62.211 62.300 0.011 0.000 0.976 364 V CB 1.331 33.168 31.823 0.024 0.000 0.993 364 V HN 0.999 nan 8.190 nan 0.000 0.475 365 A N 6.344 129.165 122.820 0.003 0.000 2.280 365 A HA 0.634 4.954 4.320 -0.000 0.000 0.320 365 A C -0.628 176.966 177.584 0.017 0.000 1.366 365 A CA -0.419 51.622 52.037 0.007 0.000 0.938 365 A CB 0.246 19.244 19.000 -0.004 0.000 1.157 365 A HN 0.752 nan 8.150 nan 0.000 0.536 366 L N 3.307 124.548 121.223 0.031 0.000 2.282 366 L HA 0.301 4.641 4.340 -0.000 0.000 0.287 366 L C 0.058 176.958 176.870 0.049 0.000 1.075 366 L CA -0.201 54.667 54.840 0.046 0.000 0.839 366 L CB 0.370 42.466 42.059 0.061 0.000 1.219 366 L HN 0.662 nan 8.230 nan 0.000 0.434 367 N N 4.890 123.618 118.700 0.048 0.000 2.482 367 N HA 0.103 4.843 4.740 -0.000 0.000 0.242 367 N C -0.212 175.350 175.510 0.087 0.000 1.100 367 N CA -0.105 52.980 53.050 0.059 0.000 0.946 367 N CB 0.238 38.750 38.487 0.042 0.000 1.227 367 N HN 0.613 nan 8.380 nan 0.000 0.508 368 R N 3.133 123.689 120.500 0.093 0.000 2.537 368 R HA 0.160 4.500 4.340 -0.000 0.000 0.280 368 R C -0.879 175.520 176.300 0.164 0.000 1.058 368 R CA 0.009 56.176 56.100 0.112 0.000 1.057 368 R CB 0.291 30.636 30.300 0.075 0.000 0.973 368 R HN 0.398 nan 8.270 nan 0.000 0.438 369 F N 1.952 121.896 119.950 -0.009 0.000 2.546 369 F HA 0.183 4.710 4.527 0.000 0.000 0.320 369 F C 1.202 176.998 175.800 -0.008 0.000 1.076 369 F CA -0.247 57.735 58.000 -0.030 0.000 0.928 369 F CB 1.925 40.902 39.000 -0.039 0.000 1.189 369 F HN 0.735 nan 8.300 nan 0.000 0.465 370 S N 0.064 115.436 115.700 -0.547 0.000 2.420 370 S HA -0.229 4.241 4.470 -0.000 0.000 0.237 370 S C 1.497 176.029 174.600 -0.113 0.000 1.023 370 S CA 1.825 59.831 58.200 -0.323 0.000 0.991 370 S CB -1.136 61.801 63.200 -0.440 0.000 0.792 370 S HN 0.822 nan 8.310 nan 0.000 0.488 371 T N -1.741 112.818 114.554 0.009 0.000 3.060 371 T HA 0.182 4.532 4.350 -0.000 0.000 0.249 371 T C -0.133 174.648 174.700 0.135 0.000 1.079 371 T CA -0.322 61.852 62.100 0.123 0.000 1.013 371 T CB -0.365 68.656 68.868 0.256 0.000 0.975 371 T HN 0.154 nan 8.240 nan 0.000 0.518 372 D N 3.985 124.469 120.400 0.140 0.000 2.425 372 D HA 0.212 4.851 4.640 -0.000 0.000 0.247 372 D C 0.802 177.146 176.300 0.074 0.000 1.147 372 D CA 0.395 54.464 54.000 0.114 0.000 0.879 372 D CB 1.288 42.160 40.800 0.119 0.000 1.179 372 D HN 0.507 nan 8.370 nan 0.000 0.456 373 T N -0.542 114.051 114.554 0.064 0.000 2.899 373 T HA 0.148 4.497 4.350 -0.000 0.000 0.284 373 T C 1.122 175.852 174.700 0.049 0.000 1.004 373 T CA -0.703 61.425 62.100 0.047 0.000 1.043 373 T CB 1.485 70.374 68.868 0.035 0.000 1.013 373 T HN 0.111 nan 8.240 nan 0.000 0.518 374 E N 0.938 121.162 120.200 0.040 0.000 2.150 374 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 374 E C 2.301 178.931 176.600 0.050 0.000 0.985 374 E CA 0.777 57.201 56.400 0.041 0.000 0.814 374 E CB -0.250 29.469 29.700 0.030 0.000 0.752 374 E HN 0.588 nan 8.360 nan 0.000 0.466 375 K N 0.633 121.060 120.400 0.044 0.000 2.097 375 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 375 K C 2.133 178.782 176.600 0.081 0.000 1.049 375 K CA 1.174 57.490 56.287 0.049 0.000 0.933 375 K CB -0.272 32.241 32.500 0.021 0.000 0.717 375 K HN 0.362 nan 8.250 nan 0.000 0.442 376 E N -0.198 120.046 120.200 0.075 0.000 2.047 376 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 376 E C 2.087 178.778 176.600 0.151 0.000 0.987 376 E CA 1.204 57.669 56.400 0.107 0.000 0.799 376 E CB -0.094 29.657 29.700 0.084 0.000 0.752 376 E HN 0.201 nan 8.360 nan 0.000 0.449 377 I N 1.043 121.680 120.570 0.112 0.000 2.226 377 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 377 I C 2.451 178.624 176.117 0.095 0.000 1.100 377 I CA 1.032 62.392 61.300 0.101 0.000 1.374 377 I CB -1.226 36.818 38.000 0.074 0.000 1.057 377 I HN 0.037 nan 8.210 nan 0.000 0.413 378 A N -0.123 122.752 122.820 0.092 0.000 1.930 378 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 378 A C 2.332 179.960 177.584 0.073 0.000 1.175 378 A CA 1.215 53.294 52.037 0.070 0.000 0.627 378 A CB -0.936 18.102 19.000 0.064 0.000 0.815 378 A HN 0.459 nan 8.150 nan 0.000 0.443 379 Y N 0.638 120.935 120.300 -0.005 0.000 2.163 379 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 379 Y C 2.316 178.185 175.900 -0.051 0.000 1.136 379 Y CA 1.895 59.974 58.100 -0.036 0.000 1.147 379 Y CB -0.400 38.043 38.460 -0.028 0.000 0.987 379 Y HN 0.053 nan 8.280 nan 0.000 0.509 380 V N -0.807 119.113 119.914 0.010 0.000 2.407 380 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 380 V C 2.368 178.441 176.094 -0.034 0.000 1.055 380 V CA 1.731 64.039 62.300 0.013 0.000 1.049 380 V CB -0.916 31.031 31.823 0.206 0.000 0.662 380 V HN 0.349 nan 8.190 nan 0.000 0.455 381 V N -0.078 119.824 119.914 -0.020 0.000 2.358 381 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 381 V C 2.422 178.471 176.094 -0.075 0.000 1.047 381 V CA 2.388 64.680 62.300 -0.013 0.000 1.035 381 V CB -0.594 31.233 31.823 0.007 0.000 0.658 381 V HN 0.553 nan 8.190 nan 0.000 0.452 382 K N -0.048 120.262 120.400 -0.151 0.000 2.057 382 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 382 K C 2.140 178.576 176.600 -0.273 0.000 1.050 382 K CA 1.280 57.459 56.287 -0.179 0.000 0.935 382 K CB -0.132 32.266 32.500 -0.170 0.000 0.715 382 K HN 0.305 nan 8.250 nan 0.000 0.439 383 E N 0.289 120.175 120.200 -0.523 0.000 2.153 383 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 383 E C 2.140 178.586 176.600 -0.257 0.000 0.988 383 E CA 1.092 57.058 56.400 -0.723 0.000 0.811 383 E CB -0.514 28.158 29.700 -1.713 0.000 0.746 383 E HN 0.402 nan 8.360 nan 0.000 0.466 384 C N 0.759 120.055 119.300 -0.006 0.000 2.446 384 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 384 C C 2.506 177.532 174.990 0.059 0.000 1.275 384 C CA 0.357 59.473 59.018 0.164 0.000 1.727 384 C CB -0.725 27.103 27.740 0.147 0.000 2.010 384 C HN 0.500 nan 8.230 nan 0.000 0.486 385 E N 0.850 121.048 120.200 -0.003 0.000 2.118 385 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 385 E C 2.046 178.639 176.600 -0.010 0.000 0.992 385 E CA 1.086 57.481 56.400 -0.009 0.000 0.804 385 E CB -0.133 29.551 29.700 -0.026 0.000 0.741 385 E HN 0.627 nan 8.360 nan 0.000 0.458 386 K N 0.258 120.637 120.400 -0.035 0.000 2.365 386 K HA -0.031 4.289 4.320 -0.000 0.000 0.199 386 K C 1.879 178.483 176.600 0.008 0.000 1.045 386 K CA 0.495 56.763 56.287 -0.032 0.000 0.962 386 K CB 0.142 32.596 32.500 -0.078 0.000 0.759 386 K HN 0.188 nan 8.250 nan 0.000 0.469 387 L N -0.294 120.955 121.223 0.044 0.000 2.529 387 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 387 L C 0.923 177.824 176.870 0.051 0.000 1.113 387 L CA 0.355 55.241 54.840 0.077 0.000 0.861 387 L CB 0.083 42.227 42.059 0.143 0.000 1.012 387 L HN 0.419 nan 8.230 nan 0.000 0.461 388 G N 0.639 109.461 108.800 0.037 0.000 2.147 388 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 388 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 388 G C -0.044 174.876 174.900 0.034 0.000 1.005 388 G CA 0.325 45.442 45.100 0.029 0.000 0.713 388 G HN 0.162 nan 8.290 nan 0.000 0.515 389 V N 0.598 120.538 119.914 0.044 0.000 2.435 389 V HA 0.599 4.719 4.120 -0.000 0.000 0.290 389 V C 1.160 177.277 176.094 0.037 0.000 1.030 389 V CA -1.077 61.249 62.300 0.043 0.000 0.881 389 V CB 0.985 32.839 31.823 0.052 0.000 0.983 389 V HN 0.443 nan 8.190 nan 0.000 0.445 390 R N 3.474 123.992 120.500 0.029 0.000 2.583 390 R HA 0.295 4.635 4.340 -0.000 0.000 0.274 390 R C -0.637 175.678 176.300 0.026 0.000 0.998 390 R CA 0.306 56.420 56.100 0.024 0.000 1.081 390 R CB 0.778 31.089 30.300 0.019 0.000 0.940 390 R HN 0.502 nan 8.270 nan 0.000 0.413 391 V N 1.657 121.586 119.914 0.025 0.000 2.760 391 V HA 0.763 4.883 4.120 -0.000 0.000 0.309 391 V C -1.382 174.725 176.094 0.021 0.000 1.077 391 V CA -0.431 61.886 62.300 0.028 0.000 0.910 391 V CB 1.981 33.829 31.823 0.043 0.000 1.008 391 V HN 0.892 nan 8.190 nan 0.000 0.424 392 A N 5.342 128.174 122.820 0.019 0.000 2.414 392 A HA 0.840 5.160 4.320 -0.000 0.000 0.306 392 A C -1.020 176.578 177.584 0.023 0.000 1.054 392 A CA -0.572 51.474 52.037 0.016 0.000 0.724 392 A CB 1.985 20.988 19.000 0.006 0.000 1.267 392 A HN 1.088 nan 8.150 nan 0.000 0.418 393 V N 1.809 121.739 119.914 0.026 0.000 2.530 393 V HA 0.479 4.599 4.120 -0.000 0.000 0.282 393 V C 0.814 176.926 176.094 0.029 0.000 1.048 393 V CA 0.016 62.335 62.300 0.033 0.000 0.997 393 V CB 1.315 33.160 31.823 0.037 0.000 0.987 393 V HN 0.906 nan 8.190 nan 0.000 0.477 394 S N 3.713 119.434 115.700 0.036 0.000 2.454 394 S HA 0.450 4.920 4.470 -0.000 0.000 0.306 394 S C -0.031 174.601 174.600 0.053 0.000 1.100 394 S CA -0.636 57.586 58.200 0.037 0.000 1.087 394 S CB 1.011 64.231 63.200 0.033 0.000 1.019 394 S HN 0.831 nan 8.310 nan 0.000 0.480 395 E N 3.632 123.864 120.200 0.052 0.000 3.385 395 E HA 0.105 4.455 4.350 -0.000 0.000 0.206 395 E C 1.211 177.859 176.600 0.080 0.000 0.997 395 E CA -0.064 56.379 56.400 0.071 0.000 1.278 395 E CB 0.697 30.428 29.700 0.051 0.000 1.165 395 E HN 0.658 nan 8.360 nan 0.000 0.452 396 V N -1.565 118.398 119.914 0.082 0.000 2.515 396 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 396 V C 1.994 178.134 176.094 0.077 0.000 1.058 396 V CA 1.080 63.415 62.300 0.059 0.000 1.064 396 V CB -0.736 31.109 31.823 0.037 0.000 0.675 396 V HN 0.298 nan 8.190 nan 0.000 0.461 397 F N 1.701 121.652 119.950 0.002 0.000 2.095 397 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 397 F C 2.499 178.294 175.800 -0.009 0.000 1.104 397 F CA 2.610 60.611 58.000 0.002 0.000 1.232 397 F CB -0.141 38.872 39.000 0.021 0.000 0.987 397 F HN 0.129 nan 8.300 nan 0.000 0.475 398 K N -0.106 120.413 120.400 0.198 0.000 2.137 398 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 398 K C 1.355 177.953 176.600 -0.004 0.000 1.052 398 K CA 1.096 57.440 56.287 0.095 0.000 0.961 398 K CB 0.087 32.660 32.500 0.121 0.000 0.741 398 K HN 0.236 nan 8.250 nan 0.000 0.452 399 K N -0.441 119.961 120.400 0.004 0.000 2.438 399 K HA 0.166 4.486 4.320 -0.000 0.000 0.206 399 K C 0.484 177.070 176.600 -0.024 0.000 1.081 399 K CA 0.272 56.553 56.287 -0.011 0.000 1.053 399 K CB 1.432 33.935 32.500 0.004 0.000 0.908 399 K HN 0.328 nan 8.250 nan 0.000 0.556 400 G N 2.043 110.821 108.800 -0.035 0.000 2.564 400 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.273 400 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.273 400 G C 0.829 175.717 174.900 -0.019 0.000 1.242 400 G CA 0.562 45.640 45.100 -0.036 0.000 0.951 400 G HN 0.280 nan 8.290 nan 0.000 0.564 401 S N -0.263 115.425 115.700 -0.021 0.000 2.469 401 S HA -0.043 4.427 4.470 -0.000 0.000 0.238 401 S C 1.638 176.229 174.600 -0.015 0.000 0.998 401 S CA 1.995 60.184 58.200 -0.018 0.000 0.957 401 S CB -0.041 63.147 63.200 -0.020 0.000 0.764 401 S HN 0.606 nan 8.310 nan 0.000 0.514 402 E N 1.430 121.622 120.200 -0.013 0.000 2.418 402 E HA 0.060 4.410 4.350 -0.000 0.000 0.197 402 E C 1.711 178.309 176.600 -0.003 0.000 1.026 402 E CA 0.801 57.196 56.400 -0.009 0.000 0.862 402 E CB -0.572 29.122 29.700 -0.010 0.000 0.799 402 E HN 0.728 nan 8.360 nan 0.000 0.518 403 G N -0.164 108.636 108.800 0.000 0.000 3.233 403 G HA2 0.175 4.135 3.960 -0.000 0.000 0.234 403 G HA3 0.175 4.135 3.960 -0.000 0.000 0.234 403 G C 1.005 175.911 174.900 0.010 0.000 1.137 403 G CA 0.356 45.463 45.100 0.011 0.000 0.763 403 G HN 0.282 nan 8.290 nan 0.000 0.549 404 G N -0.397 108.402 108.800 -0.002 0.000 3.815 404 G HA2 0.234 4.194 3.960 -0.000 0.000 0.265 404 G HA3 0.234 4.194 3.960 -0.000 0.000 0.265 404 G C 1.134 176.022 174.900 -0.020 0.000 1.026 404 G CA 0.469 45.564 45.100 -0.009 0.000 0.868 404 G HN 0.111 nan 8.290 nan 0.000 0.476 405 V N 0.649 120.553 119.914 -0.017 0.000 2.261 405 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 405 V C 2.672 178.751 176.094 -0.025 0.000 1.047 405 V CA 1.939 64.225 62.300 -0.023 0.000 1.015 405 V CB -0.149 31.664 31.823 -0.016 0.000 0.642 405 V HN 0.247 nan 8.190 nan 0.000 0.446 406 E N -0.166 120.025 120.200 -0.015 0.000 2.110 406 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 406 E C 2.110 178.698 176.600 -0.019 0.000 0.988 406 E CA 1.169 57.562 56.400 -0.013 0.000 0.804 406 E CB -0.368 29.330 29.700 -0.004 0.000 0.745 406 E HN 0.470 nan 8.360 nan 0.000 0.458 407 L N 0.855 122.065 121.223 -0.020 0.000 2.046 407 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 407 L C 2.212 179.052 176.870 -0.051 0.000 1.077 407 L CA 2.105 56.929 54.840 -0.026 0.000 0.747 407 L CB -0.717 41.330 42.059 -0.020 0.000 0.896 407 L HN 0.025 nan 8.230 nan 0.000 0.432 408 A N -0.585 122.195 122.820 -0.067 0.000 1.902 408 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 408 A C 2.334 179.843 177.584 -0.124 0.000 1.181 408 A CA 2.061 54.029 52.037 -0.116 0.000 0.623 408 A CB -0.507 18.424 19.000 -0.115 0.000 0.818 408 A HN 0.532 nan 8.150 nan 0.000 0.443 409 K N -0.426 119.928 120.400 -0.077 0.000 2.062 409 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 409 K C 2.337 178.913 176.600 -0.041 0.000 1.051 409 K CA 0.944 57.197 56.287 -0.058 0.000 0.941 409 K CB -0.303 32.178 32.500 -0.032 0.000 0.719 409 K HN 0.423 nan 8.250 nan 0.000 0.440 410 A N 1.138 123.939 122.820 -0.032 0.000 1.908 410 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 410 A C 2.380 179.956 177.584 -0.015 0.000 1.181 410 A CA 1.506 53.534 52.037 -0.015 0.000 0.627 410 A CB -0.732 18.263 19.000 -0.009 0.000 0.818 410 A HN 0.067 nan 8.150 nan 0.000 0.445 411 V N -0.222 119.668 119.914 -0.040 0.000 2.295 411 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 411 V C 3.060 179.147 176.094 -0.011 0.000 1.049 411 V CA 1.930 64.210 62.300 -0.034 0.000 1.024 411 V CB -1.195 30.582 31.823 -0.077 0.000 0.648 411 V HN 0.621 nan 8.190 nan 0.000 0.447 412 A N -0.486 122.280 122.820 -0.090 0.000 1.972 412 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 412 A C 2.146 179.779 177.584 0.080 0.000 1.169 412 A CA 1.991 54.020 52.037 -0.012 0.000 0.635 412 A CB -0.413 18.522 19.000 -0.109 0.000 0.810 412 A HN 0.652 nan 8.150 nan 0.000 0.446 413 E N -0.626 119.595 120.200 0.036 0.000 2.112 413 E HA 0.068 4.418 4.350 -0.000 0.000 0.190 413 E C 2.164 178.794 176.600 0.049 0.000 0.979 413 E CA 0.742 57.166 56.400 0.041 0.000 0.814 413 E CB -0.163 29.550 29.700 0.022 0.000 0.762 413 E HN 0.607 nan 8.360 nan 0.000 0.460 414 A N 1.368 124.217 122.820 0.049 0.000 2.021 414 A HA 0.265 4.585 4.320 -0.000 0.000 0.216 414 A C 1.386 179.011 177.584 0.068 0.000 1.163 414 A CA 0.456 52.523 52.037 0.050 0.000 0.676 414 A CB -0.098 18.925 19.000 0.040 0.000 0.818 414 A HN 0.215 nan 8.150 nan 0.000 0.453 415 A N 0.929 123.807 122.820 0.097 0.000 2.520 415 A HA 0.471 4.791 4.320 -0.000 0.000 0.245 415 A C 0.384 178.017 177.584 0.081 0.000 1.072 415 A CA 0.442 52.546 52.037 0.111 0.000 0.761 415 A CB -0.148 18.967 19.000 0.192 0.000 1.004 415 A HN 0.661 nan 8.150 nan 0.000 0.499 416 K N 1.280 121.721 120.400 0.069 0.000 2.507 416 K HA 0.445 4.765 4.320 -0.000 0.000 0.284 416 K C -1.823 174.809 176.600 0.052 0.000 1.038 416 K CA -1.042 55.275 56.287 0.051 0.000 0.903 416 K CB 0.902 33.427 32.500 0.043 0.000 1.531 416 K HN 0.337 nan 8.250 nan 0.000 0.430 417 D N 2.159 122.579 120.400 0.034 0.000 2.336 417 D HA 0.206 4.846 4.640 -0.000 0.000 0.249 417 D C -0.184 176.124 176.300 0.014 0.000 1.213 417 D CA -0.119 53.897 54.000 0.028 0.000 0.870 417 D CB 1.379 42.186 40.800 0.011 0.000 1.076 417 D HN 0.459 nan 8.370 nan 0.000 0.483 418 V N 0.334 120.256 119.914 0.013 0.000 2.769 418 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 418 V C 0.084 176.095 176.094 -0.138 0.000 1.058 418 V CA -1.073 61.212 62.300 -0.024 0.000 0.952 418 V CB 2.091 33.940 31.823 0.043 0.000 1.019 418 V HN 0.183 nan 8.190 nan 0.000 0.445 419 E N 4.453 124.572 120.200 -0.135 0.000 2.351 419 E HA 0.347 4.697 4.350 -0.000 0.000 0.266 419 E C -2.480 173.900 176.600 -0.368 0.000 1.031 419 E CA -1.589 54.693 56.400 -0.197 0.000 0.911 419 E CB 0.535 30.165 29.700 -0.117 0.000 0.986 419 E HN 0.683 nan 8.360 nan 0.000 0.446 420 P HA 0.076 nan 4.420 nan 0.000 0.265 420 P C -1.361 175.600 177.300 -0.565 0.000 1.193 420 P CA 0.252 62.731 63.100 -1.034 0.000 0.765 420 P CB 0.975 32.100 31.700 -0.957 0.000 0.823 421 A N 3.487 126.049 122.820 -0.431 0.000 3.082 421 A HA 0.385 4.705 4.320 -0.000 0.000 0.328 421 A C -1.059 176.512 177.584 -0.021 0.000 1.089 421 A CA -0.480 51.466 52.037 -0.152 0.000 0.802 421 A CB -0.364 18.618 19.000 -0.030 0.000 1.138 421 A HN 0.367 nan 8.150 nan 0.000 0.474 422 Y N 0.643 121.049 120.300 0.177 0.000 2.336 422 Y HA 0.235 4.786 4.550 0.000 0.000 0.331 422 Y C 1.464 177.396 175.900 0.054 0.000 1.211 422 Y CA -0.337 57.848 58.100 0.141 0.000 1.346 422 Y CB 0.642 39.108 38.460 0.010 0.000 1.271 422 Y HN 0.509 nan 8.280 nan 0.000 0.538 423 L N 2.058 123.388 121.223 0.178 0.000 2.217 423 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 423 L C -0.420 176.539 176.870 0.148 0.000 1.107 423 L CA 0.754 55.644 54.840 0.084 0.000 0.783 423 L CB -0.260 41.859 42.059 0.099 0.000 0.919 423 L HN 0.727 nan 8.230 nan 0.000 0.442 424 Y N -3.621 116.782 120.300 0.171 0.000 2.571 424 Y HA 0.614 5.164 4.550 0.000 0.000 0.341 424 Y C -0.324 175.637 175.900 0.101 0.000 1.076 424 Y CA -1.849 56.315 58.100 0.107 0.000 1.029 424 Y CB 0.595 39.100 38.460 0.075 0.000 1.308 424 Y HN -0.274 nan 8.280 nan 0.000 0.461 428 D N 2.543 122.970 120.400 0.044 0.000 2.449 428 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 428 D C -2.146 174.136 176.300 -0.030 0.000 1.149 428 D CA -0.267 53.740 54.000 0.013 0.000 0.878 428 D CB 0.701 41.517 40.800 0.026 0.000 1.198 428 D HN 0.183 nan 8.370 nan 0.000 0.446 429 P HA -0.048 nan 4.420 nan 0.000 0.267 429 P C 1.170 178.437 177.300 -0.056 0.000 1.200 429 P CA -0.287 62.793 63.100 -0.033 0.000 0.772 429 P CB 0.658 32.342 31.700 -0.027 0.000 0.855 430 V N 2.615 122.500 119.914 -0.047 0.000 2.317 430 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 430 V C 2.104 178.188 176.094 -0.017 0.000 1.065 430 V CA 2.059 64.330 62.300 -0.049 0.000 1.049 430 V CB -1.083 30.734 31.823 -0.009 0.000 0.651 430 V HN 0.646 nan 8.190 nan 0.000 0.450 431 E N -0.527 119.667 120.200 -0.011 0.000 2.110 431 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 431 E C 2.290 178.932 176.600 0.070 0.000 0.988 431 E CA 1.285 57.715 56.400 0.050 0.000 0.804 431 E CB -0.134 29.529 29.700 -0.061 0.000 0.745 431 E HN 0.551 nan 8.360 nan 0.000 0.458 432 K N 1.306 121.710 120.400 0.008 0.000 2.062 432 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 432 K C 1.819 178.407 176.600 -0.019 0.000 1.051 432 K CA 1.061 57.350 56.287 0.003 0.000 0.941 432 K CB 0.171 32.669 32.500 -0.004 0.000 0.719 432 K HN -0.083 nan 8.250 nan 0.000 0.440 433 K N 0.512 120.858 120.400 -0.090 0.000 2.057 433 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 433 K C 2.106 178.650 176.600 -0.093 0.000 1.049 433 K CA 1.482 57.649 56.287 -0.201 0.000 0.931 433 K CB -0.128 32.046 32.500 -0.544 0.000 0.714 433 K HN 0.209 nan 8.250 nan 0.000 0.440 434 I N 1.312 121.858 120.570 -0.041 0.000 2.252 434 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 434 I C 2.175 178.256 176.117 -0.060 0.000 1.102 434 I CA 1.315 62.608 61.300 -0.012 0.000 1.385 434 I CB -0.249 37.816 38.000 0.108 0.000 1.064 434 I HN 0.212 nan 8.210 nan 0.000 0.414 435 E N 0.903 121.098 120.200 -0.008 0.000 2.077 435 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 435 E C 2.302 178.856 176.600 -0.077 0.000 0.989 435 E CA 1.282 57.662 56.400 -0.033 0.000 0.800 435 E CB -0.073 29.638 29.700 0.019 0.000 0.746 435 E HN 0.509 nan 8.360 nan 0.000 0.452 436 I N 0.586 121.126 120.570 -0.049 0.000 2.202 436 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 436 I C 2.159 178.201 176.117 -0.126 0.000 1.091 436 I CA 0.660 61.932 61.300 -0.046 0.000 1.368 436 I CB -0.107 37.919 38.000 0.043 0.000 1.058 436 I HN 0.094 nan 8.210 nan 0.000 0.410 437 L N 0.729 121.857 121.223 -0.157 0.000 2.046 437 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 437 L C 2.664 179.088 176.870 -0.744 0.000 1.077 437 L CA 2.131 56.745 54.840 -0.376 0.000 0.747 437 L CB -1.277 40.627 42.059 -0.258 0.000 0.896 437 L HN 0.204 nan 8.230 nan 0.000 0.432 438 A N -0.878 121.634 122.820 -0.513 0.000 1.898 438 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 438 A C 2.443 179.862 177.584 -0.275 0.000 1.181 438 A CA 1.882 53.661 52.037 -0.430 0.000 0.620 438 A CB -0.442 18.319 19.000 -0.400 0.000 0.819 438 A HN 0.395 nan 8.150 nan 0.000 0.442 439 K N -0.641 119.625 120.400 -0.223 0.000 2.001 439 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 439 K C 1.848 178.358 176.600 -0.149 0.000 1.048 439 K CA 1.505 57.701 56.287 -0.152 0.000 0.932 439 K CB -0.148 32.285 32.500 -0.112 0.000 0.715 439 K HN 0.363 nan 8.250 nan 0.000 0.437 440 E N 0.346 120.436 120.200 -0.183 0.000 2.076 440 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 440 E C 2.063 178.555 176.600 -0.180 0.000 0.979 440 E CA 0.808 57.107 56.400 -0.168 0.000 0.807 440 E CB 0.185 29.782 29.700 -0.173 0.000 0.761 440 E HN 0.363 nan 8.360 nan 0.000 0.454 441 I N -0.514 119.888 120.570 -0.280 0.000 2.947 441 I HA -0.083 4.087 4.170 -0.000 0.000 0.263 441 I C 1.818 177.902 176.117 -0.055 0.000 1.130 441 I CA 0.671 61.838 61.300 -0.220 0.000 1.448 441 I CB -0.961 36.860 38.000 -0.298 0.000 1.222 441 I HN 0.016 nan 8.210 nan 0.000 0.453 442 Y N 1.764 122.084 120.300 0.035 0.000 2.523 442 Y HA 0.181 4.731 4.550 -0.000 0.000 0.279 442 Y C 0.697 176.719 175.900 0.204 0.000 1.139 442 Y CA -0.680 57.507 58.100 0.146 0.000 1.296 442 Y CB -0.344 38.232 38.460 0.193 0.000 1.045 442 Y HN 0.118 nan 8.280 nan 0.000 0.538 443 R N -1.119 119.463 120.500 0.136 0.000 3.770 443 R HA -0.168 4.172 4.340 -0.000 0.000 0.305 443 R C 0.264 176.555 176.300 -0.016 0.000 1.184 443 R CA 0.636 56.779 56.100 0.072 0.000 0.823 443 R CB -2.349 28.020 30.300 0.115 0.000 1.285 443 R HN 0.314 nan 8.270 nan 0.000 0.499 444 A N -0.283 122.416 122.820 -0.201 0.000 2.366 444 A HA 0.566 4.886 4.320 -0.000 0.000 0.249 444 A C 1.642 179.015 177.584 -0.352 0.000 1.084 444 A CA 0.442 52.061 52.037 -0.697 0.000 0.794 444 A CB 0.313 19.004 19.000 -0.514 0.000 1.034 444 A HN 0.314 nan 8.150 nan 0.000 0.491 445 G N 0.125 108.721 108.800 -0.339 0.000 2.539 445 G HA2 0.294 4.254 3.960 -0.000 0.000 0.215 445 G HA3 0.294 4.254 3.960 -0.000 0.000 0.215 445 G C 0.647 175.479 174.900 -0.112 0.000 1.141 445 G CA 0.673 45.680 45.100 -0.154 0.000 0.806 445 G HN 1.040 nan 8.290 nan 0.000 0.533 446 R N -1.666 118.757 120.500 -0.128 0.000 2.712 446 R HA 0.543 4.883 4.340 -0.000 0.000 0.272 446 R C -2.255 174.009 176.300 -0.059 0.000 1.032 446 R CA -0.675 55.384 56.100 -0.069 0.000 0.874 446 R CB 1.053 31.334 30.300 -0.031 0.000 1.256 446 R HN -0.116 nan 8.270 nan 0.000 0.468 447 V N 0.813 120.705 119.914 -0.037 0.000 2.483 447 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 447 V C -0.176 175.875 176.094 -0.071 0.000 1.035 447 V CA -0.595 61.666 62.300 -0.066 0.000 0.896 447 V CB 1.520 33.259 31.823 -0.140 0.000 0.986 447 V HN 0.784 nan 8.190 nan 0.000 0.447 448 E N 3.117 123.235 120.200 -0.135 0.000 2.199 448 E HA 0.537 4.887 4.350 -0.000 0.000 0.269 448 E C -1.885 174.587 176.600 -0.212 0.000 0.899 448 E CA -0.598 55.758 56.400 -0.073 0.000 0.772 448 E CB 1.591 31.274 29.700 -0.027 0.000 1.155 448 E HN 0.487 nan 8.360 nan 0.000 0.408 449 F N 2.260 122.232 119.950 0.037 0.000 2.427 449 F HA 0.209 4.736 4.527 0.000 0.000 0.346 449 F C 0.980 176.798 175.800 0.030 0.000 1.120 449 F CA -0.592 57.432 58.000 0.040 0.000 1.033 449 F CB 1.756 40.782 39.000 0.043 0.000 1.126 449 F HN 0.408 nan 8.300 nan 0.000 0.462 450 S N 1.112 116.916 115.700 0.173 0.000 2.587 450 S HA 0.014 4.484 4.470 -0.000 0.000 0.260 450 S C 0.840 175.519 174.600 0.131 0.000 1.353 450 S CA -0.522 57.749 58.200 0.118 0.000 0.995 450 S CB 0.684 63.934 63.200 0.082 0.000 0.912 450 S HN 0.618 nan 8.310 nan 0.000 0.568 451 D N 1.070 121.525 120.400 0.091 0.000 2.144 451 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 451 D C 1.993 178.342 176.300 0.082 0.000 0.984 451 D CA 1.608 55.655 54.000 0.079 0.000 0.834 451 D CB -0.859 39.977 40.800 0.059 0.000 0.955 451 D HN 0.710 nan 8.370 nan 0.000 0.465 452 T N 0.360 114.964 114.554 0.083 0.000 2.746 452 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 452 T C 1.971 176.733 174.700 0.104 0.000 1.039 452 T CA 1.483 63.633 62.100 0.083 0.000 1.142 452 T CB -0.227 68.686 68.868 0.075 0.000 0.866 452 T HN 0.193 nan 8.240 nan 0.000 0.444 453 A N 1.511 124.414 122.820 0.139 0.000 1.930 453 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 453 A C 2.249 179.918 177.584 0.142 0.000 1.175 453 A CA 1.411 53.563 52.037 0.192 0.000 0.627 453 A CB -0.369 18.828 19.000 0.329 0.000 0.815 453 A HN 0.439 nan 8.150 nan 0.000 0.443 454 K N -0.548 119.919 120.400 0.111 0.000 2.057 454 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 454 K C 2.006 178.630 176.600 0.039 0.000 1.049 454 K CA 1.558 57.862 56.287 0.028 0.000 0.931 454 K CB -0.238 32.283 32.500 0.036 0.000 0.714 454 K HN 0.536 nan 8.250 nan 0.000 0.440 455 N N 0.750 119.492 118.700 0.070 0.000 2.166 455 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 455 N C 1.553 177.138 175.510 0.125 0.000 1.019 455 N CA 1.296 54.400 53.050 0.089 0.000 0.856 455 N CB -0.022 38.516 38.487 0.084 0.000 0.993 455 N HN 0.188 nan 8.380 nan 0.000 0.426 456 A N 0.371 123.258 122.820 0.112 0.000 1.898 456 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 456 A C 2.223 179.914 177.584 0.177 0.000 1.181 456 A CA 0.912 53.029 52.037 0.133 0.000 0.620 456 A CB -0.771 18.292 19.000 0.104 0.000 0.819 456 A HN 0.365 nan 8.150 nan 0.000 0.442 457 L N -0.675 120.605 121.223 0.095 0.000 2.083 457 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 457 L C 2.570 179.485 176.870 0.075 0.000 1.083 457 L CA 1.567 56.434 54.840 0.044 0.000 0.752 457 L CB -0.358 41.639 42.059 -0.104 0.000 0.899 457 L HN 0.365 nan 8.230 nan 0.000 0.433 458 K N -0.662 119.793 120.400 0.091 0.000 2.057 458 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 458 K C 2.087 178.772 176.600 0.141 0.000 1.050 458 K CA 1.501 57.839 56.287 0.084 0.000 0.935 458 K CB -0.266 32.282 32.500 0.081 0.000 0.715 458 K HN 0.106 nan 8.250 nan 0.000 0.439 459 F N 1.986 121.988 119.950 0.087 0.000 2.102 459 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 459 F C 1.922 177.861 175.800 0.233 0.000 1.105 459 F CA 1.276 59.382 58.000 0.177 0.000 1.239 459 F CB -0.152 38.962 39.000 0.191 0.000 0.991 459 F HN -0.102 nan 8.300 nan 0.000 0.474 460 I N 0.365 121.180 120.570 0.408 0.000 2.208 460 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 460 I C 2.312 178.519 176.117 0.149 0.000 1.097 460 I CA 1.724 63.222 61.300 0.330 0.000 1.363 460 I CB -0.466 37.685 38.000 0.253 0.000 1.051 460 I HN 0.141 nan 8.210 nan 0.000 0.413 461 K N 0.511 120.943 120.400 0.054 0.000 2.062 461 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 461 K C 2.167 178.696 176.600 -0.119 0.000 1.051 461 K CA 1.000 57.270 56.287 -0.029 0.000 0.941 461 K CB -0.144 32.336 32.500 -0.033 0.000 0.719 461 K HN 0.190 nan 8.250 nan 0.000 0.440 462 K N 0.563 120.859 120.400 -0.174 0.000 2.103 462 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 462 K C 1.164 177.445 176.600 -0.532 0.000 1.048 462 K CA 1.362 57.435 56.287 -0.356 0.000 0.930 462 K CB 0.064 32.308 32.500 -0.427 0.000 0.716 462 K HN 0.280 nan 8.250 nan 0.000 0.444 463 H N -1.268 117.614 119.070 -0.313 0.000 2.520 463 H HA 0.152 4.708 4.556 0.000 0.000 0.284 463 H C 0.643 175.580 175.328 -0.651 0.000 1.037 463 H CA 0.695 56.492 56.048 -0.417 0.000 1.168 463 H CB 0.979 30.498 29.762 -0.406 0.000 1.497 463 H HN 0.550 nan 8.280 nan 0.000 0.547 464 G N 1.032 109.604 108.800 -0.380 0.000 2.137 464 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 464 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 464 G C 0.202 174.869 174.900 -0.388 0.000 1.002 464 G CA 0.006 44.873 45.100 -0.388 0.000 0.702 464 G HN 0.327 nan 8.290 nan 0.000 0.515 465 F N 1.051 120.998 119.950 -0.005 0.000 2.639 465 F HA 0.228 4.755 4.527 0.000 0.000 0.302 465 F C 1.645 177.446 175.800 0.002 0.000 1.097 465 F CA -0.146 57.859 58.000 0.008 0.000 1.294 465 F CB 0.491 39.511 39.000 0.032 0.000 1.027 465 F HN 0.205 nan 8.300 nan 0.000 0.550 466 D N -0.186 120.280 120.400 0.109 0.000 2.378 466 D HA -0.123 4.517 4.640 -0.000 0.000 0.227 466 D C 0.959 177.278 176.300 0.031 0.000 1.012 466 D CA 0.690 54.724 54.000 0.057 0.000 0.905 466 D CB -0.300 40.507 40.800 0.011 0.000 0.895 466 D HN 0.377 nan 8.370 nan 0.000 0.532 467 E N -0.259 119.967 120.200 0.044 0.000 2.562 467 E HA 0.204 4.554 4.350 -0.000 0.000 0.214 467 E C 0.335 176.964 176.600 0.048 0.000 0.979 467 E CA -0.328 56.089 56.400 0.028 0.000 1.002 467 E CB 0.827 30.540 29.700 0.021 0.000 1.048 467 E HN 0.230 nan 8.360 nan 0.000 0.488 468 L N 2.909 124.180 121.223 0.080 0.000 2.467 468 L HA 0.152 4.492 4.340 -0.000 0.000 0.270 468 L C -1.965 174.926 176.870 0.035 0.000 1.205 468 L CA -1.833 53.065 54.840 0.095 0.000 0.828 468 L CB -0.131 42.002 42.059 0.123 0.000 1.101 468 L HN -0.145 nan 8.230 nan 0.000 0.479 469 P HA -0.009 nan 4.420 nan 0.000 0.269 469 P C -0.843 176.409 177.300 -0.081 0.000 1.211 469 P CA -0.038 63.086 63.100 0.040 0.000 0.781 469 P CB 0.532 32.376 31.700 0.241 0.000 0.877 470 V N 3.526 123.339 119.914 -0.168 0.000 2.495 470 V HA 0.314 4.434 4.120 -0.000 0.000 0.298 470 V C 0.134 176.126 176.094 -0.169 0.000 1.031 470 V CA -0.558 61.648 62.300 -0.157 0.000 0.871 470 V CB 1.705 33.434 31.823 -0.157 0.000 0.988 470 V HN 0.351 nan 8.190 nan 0.000 0.432 471 I N 5.445 125.858 120.570 -0.262 0.000 2.354 471 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 471 I C -0.028 176.012 176.117 -0.130 0.000 1.007 471 I CA -0.455 60.648 61.300 -0.329 0.000 1.167 471 I CB 1.688 39.188 38.000 -0.832 0.000 1.320 471 I HN 0.248 nan 8.210 nan 0.000 0.458 472 V N 6.241 126.156 119.914 0.002 0.000 2.432 472 V HA 0.406 4.526 4.120 -0.000 0.000 0.271 472 V C 0.773 176.913 176.094 0.076 0.000 1.046 472 V CA -0.552 61.794 62.300 0.078 0.000 0.945 472 V CB 1.219 33.161 31.823 0.199 0.000 0.992 472 V HN 0.826 nan 8.190 nan 0.000 0.471 473 A N 6.808 129.668 122.820 0.068 0.000 2.412 473 A HA 0.679 4.999 4.320 -0.000 0.000 0.334 473 A C 0.072 177.702 177.584 0.076 0.000 1.419 473 A CA -0.616 51.478 52.037 0.095 0.000 0.930 473 A CB 0.064 19.136 19.000 0.120 0.000 1.149 473 A HN 0.918 nan 8.150 nan 0.000 0.515 474 K N 0.370 120.794 120.400 0.040 0.000 2.439 474 K HA 0.674 4.994 4.320 -0.000 0.000 0.260 474 K C -0.154 176.391 176.600 -0.093 0.000 1.032 474 K CA -0.649 55.626 56.287 -0.020 0.000 0.882 474 K CB 0.945 33.431 32.500 -0.022 0.000 1.420 474 K HN 0.173 nan 8.250 nan 0.000 0.455 475 T N 1.464 115.939 114.554 -0.132 0.000 2.946 475 T HA 0.089 4.439 4.350 -0.000 0.000 0.312 475 T C -1.554 172.986 174.700 -0.267 0.000 1.066 475 T CA -1.112 60.870 62.100 -0.197 0.000 1.138 475 T CB 0.336 69.099 68.868 -0.175 0.000 1.014 475 T HN 0.507 nan 8.240 nan 0.000 0.544 476 P HA 0.187 nan 4.420 nan 0.000 0.255 476 P C 0.459 177.623 177.300 -0.227 0.000 1.248 476 P CA 0.302 63.112 63.100 -0.483 0.000 0.807 476 P CB 0.205 31.186 31.700 -1.197 0.000 1.150 477 K N -0.675 119.622 120.400 -0.171 0.000 2.444 477 K HA 0.181 4.501 4.320 -0.000 0.000 0.193 477 K C 0.777 177.398 176.600 0.034 0.000 1.024 477 K CA 0.204 56.457 56.287 -0.057 0.000 1.077 477 K CB 0.253 32.712 32.500 -0.068 0.000 0.833 477 K HN 0.007 nan 8.250 nan 0.000 0.517 478 S N -0.107 115.585 115.700 -0.013 0.000 2.550 478 S HA 0.252 4.722 4.470 -0.000 0.000 0.270 478 S C 0.548 175.152 174.600 0.006 0.000 1.145 478 S CA -0.938 57.260 58.200 -0.004 0.000 0.852 478 S CB 1.023 64.161 63.200 -0.104 0.000 1.119 478 S HN 0.244 nan 8.310 nan 0.000 0.465 479 I N 1.508 122.096 120.570 0.030 0.000 2.676 479 I HA 0.144 4.314 4.170 -0.000 0.000 0.259 479 I C 1.015 177.224 176.117 0.153 0.000 1.194 479 I CA 0.615 61.982 61.300 0.111 0.000 1.473 479 I CB -0.522 37.526 38.000 0.079 0.000 1.096 479 I HN 0.490 nan 8.210 nan 0.000 0.443 480 S N 1.476 117.187 115.700 0.017 0.000 2.646 480 S HA 0.109 4.579 4.470 -0.000 0.000 0.273 480 S C 1.311 175.863 174.600 -0.080 0.000 1.168 480 S CA 0.077 58.276 58.200 -0.003 0.000 1.013 480 S CB 0.237 63.071 63.200 -0.609 0.000 1.098 480 S HN 0.580 nan 8.310 nan 0.000 0.544 481 H N -0.910 117.982 119.070 -0.295 0.000 2.553 481 H HA 0.277 4.833 4.556 0.000 0.000 0.265 481 H C -0.415 174.723 175.328 -0.317 0.000 0.964 481 H CA 0.084 55.851 56.048 -0.468 0.000 1.156 481 H CB -0.414 28.755 29.762 -0.989 0.000 1.411 481 H HN 0.581 nan 8.280 nan 0.000 0.558 482 D N 2.965 122.833 120.400 -0.887 0.000 2.392 482 D HA 0.133 4.773 4.640 -0.000 0.000 0.228 482 D C -1.724 174.364 176.300 -0.352 0.000 1.074 482 D CA -2.553 51.059 54.000 -0.646 0.000 0.838 482 D CB 2.160 42.518 40.800 -0.736 0.000 1.067 482 D HN 0.035 nan 8.370 nan 0.000 0.511 483 P HA -0.100 nan 4.420 nan 0.000 0.230 483 P C 0.969 178.199 177.300 -0.117 0.000 1.158 483 P CA 0.581 63.588 63.100 -0.155 0.000 0.769 483 P CB 0.171 31.797 31.700 -0.123 0.000 0.807 484 S N -1.156 114.458 115.700 -0.142 0.000 2.528 484 S HA 0.065 4.535 4.470 -0.000 0.000 0.219 484 S C 0.943 175.475 174.600 -0.114 0.000 0.985 484 S CA -0.157 57.976 58.200 -0.111 0.000 0.914 484 S CB -0.889 62.245 63.200 -0.110 0.000 0.776 484 S HN 0.058 nan 8.310 nan 0.000 0.526 485 L N 3.300 124.436 121.223 -0.146 0.000 2.328 485 L HA 0.390 4.730 4.340 -0.000 0.000 0.280 485 L C 0.547 177.383 176.870 -0.057 0.000 1.111 485 L CA -0.467 54.290 54.840 -0.138 0.000 0.909 485 L CB 0.311 42.228 42.059 -0.238 0.000 1.277 485 L HN 0.160 nan 8.230 nan 0.000 0.433 486 R N 1.257 121.749 120.500 -0.012 0.000 2.649 486 R HA 0.543 4.883 4.340 -0.000 0.000 0.270 486 R C 0.988 177.366 176.300 0.130 0.000 1.105 486 R CA 0.393 56.569 56.100 0.126 0.000 1.193 486 R CB 0.483 30.794 30.300 0.019 0.000 1.120 486 R HN 0.737 nan 8.270 nan 0.000 0.561 487 G N 0.029 108.992 108.800 0.270 0.000 2.514 487 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.265 487 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.265 487 G C -0.538 174.333 174.900 -0.048 0.000 1.150 487 G CA 0.002 45.143 45.100 0.068 0.000 0.959 487 G HN 0.843 nan 8.290 nan 0.000 0.556 488 A N 1.565 124.372 122.820 -0.021 0.000 3.248 488 A HA 0.723 5.043 4.320 -0.000 0.000 0.315 488 A C -1.687 175.909 177.584 0.020 0.000 0.974 488 A CA 0.042 52.063 52.037 -0.026 0.000 0.939 488 A CB 0.464 19.447 19.000 -0.029 0.000 1.061 488 A HN 0.791 nan 8.150 nan 0.000 0.481 489 P HA 0.280 nan 4.420 nan 0.000 0.265 489 P C -0.321 177.117 177.300 0.230 0.000 1.193 489 P CA 0.766 63.895 63.100 0.048 0.000 0.765 489 P CB 0.798 32.408 31.700 -0.149 0.000 0.823 490 E N -0.692 119.676 120.200 0.281 0.000 2.383 490 E HA 0.561 4.911 4.350 -0.000 0.000 0.275 490 E C 0.562 177.305 176.600 0.238 0.000 0.918 490 E CA -0.406 56.164 56.400 0.283 0.000 0.764 490 E CB 0.894 30.672 29.700 0.129 0.000 1.252 490 E HN 0.835 nan 8.360 nan 0.000 0.449 491 G N 0.203 109.041 108.800 0.062 0.000 2.184 491 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 491 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 491 G C 0.172 175.056 174.900 -0.027 0.000 0.975 491 G CA 0.855 45.945 45.100 -0.017 0.000 0.642 491 G HN 1.504 nan 8.290 nan 0.000 0.536 492 Y N 0.050 120.400 120.300 0.084 0.000 2.260 492 Y HA 0.689 5.239 4.550 -0.000 0.000 0.339 492 Y C 0.675 176.642 175.900 0.112 0.000 1.317 492 Y CA -0.461 57.699 58.100 0.099 0.000 1.514 492 Y CB 0.283 38.820 38.460 0.128 0.000 1.382 492 Y HN 0.039 nan 8.280 nan 0.000 0.581 493 T N 3.607 118.254 114.554 0.155 0.000 2.727 493 T HA 0.210 4.560 4.350 -0.000 0.000 0.298 493 T C -1.135 173.629 174.700 0.106 0.000 0.942 493 T CA -0.289 61.847 62.100 0.059 0.000 0.997 493 T CB -0.579 68.318 68.868 0.049 0.000 0.917 493 T HN 0.498 nan 8.240 nan 0.000 0.487 494 F N 5.115 124.966 119.950 -0.166 0.000 2.445 494 F HA 0.454 4.980 4.527 -0.000 0.000 0.359 494 F C -0.223 175.297 175.800 -0.466 0.000 1.101 494 F CA -0.656 57.171 58.000 -0.290 0.000 1.177 494 F CB 0.552 39.510 39.000 -0.070 0.000 1.110 494 F HN 0.216 nan 8.300 nan 0.000 0.522 495 V N 7.284 126.579 119.914 -1.031 0.000 2.394 495 V HA 0.315 4.435 4.120 -0.000 0.000 0.282 495 V C -0.449 175.411 176.094 -0.389 0.000 1.031 495 V CA -0.854 61.128 62.300 -0.529 0.000 0.881 495 V CB 1.313 32.897 31.823 -0.399 0.000 0.982 495 V HN 0.512 nan 8.190 nan 0.000 0.451 496 V N 4.838 124.609 119.914 -0.239 0.000 2.364 496 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 496 V C 1.112 177.197 176.094 -0.015 0.000 1.036 496 V CA 0.349 62.582 62.300 -0.111 0.000 0.880 496 V CB 1.437 33.131 31.823 -0.216 0.000 0.991 496 V HN 1.067 nan 8.190 nan 0.000 0.460 497 S N 2.064 117.777 115.700 0.023 0.000 2.486 497 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 497 S C 0.327 174.984 174.600 0.095 0.000 1.011 497 S CA 0.136 58.366 58.200 0.050 0.000 0.921 497 S CB 0.287 63.505 63.200 0.031 0.000 0.785 497 S HN 0.749 nan 8.310 nan 0.000 0.517 498 D N -0.971 119.500 120.400 0.119 0.000 2.755 498 D HA 0.602 5.242 4.640 -0.000 0.000 0.277 498 D C -2.148 174.236 176.300 0.140 0.000 1.261 498 D CA -0.542 53.540 54.000 0.137 0.000 0.759 498 D CB 1.068 41.949 40.800 0.135 0.000 1.279 498 D HN 0.140 nan 8.370 nan 0.000 0.420 499 L N 1.116 122.420 121.223 0.135 0.000 2.465 499 L HA 0.761 5.101 4.340 -0.000 0.000 0.257 499 L C -0.755 176.186 176.870 0.118 0.000 0.988 499 L CA -0.774 54.107 54.840 0.068 0.000 0.827 499 L CB 1.865 43.967 42.059 0.071 0.000 1.397 499 L HN 0.450 nan 8.230 nan 0.000 0.410 500 F N -0.877 119.063 119.950 -0.016 0.000 2.664 500 F HA 0.925 5.452 4.527 -0.000 0.000 0.317 500 F C -1.272 174.457 175.800 -0.118 0.000 1.108 500 F CA -1.349 56.584 58.000 -0.112 0.000 0.957 500 F CB 1.343 40.249 39.000 -0.156 0.000 1.365 500 F HN 0.047 nan 8.300 nan 0.000 0.475 501 V N 1.507 121.443 119.914 0.037 0.000 2.370 501 V HA 0.417 4.537 4.120 -0.000 0.000 0.283 501 V C -0.496 175.519 176.094 -0.132 0.000 1.023 501 V CA -0.587 61.592 62.300 -0.202 0.000 0.857 501 V CB 1.215 32.712 31.823 -0.545 0.000 0.985 501 V HN 0.821 nan 8.190 nan 0.000 0.443 502 S N 3.754 119.329 115.700 -0.208 0.000 2.695 502 S HA 0.387 4.857 4.470 -0.000 0.000 0.275 502 S C 1.180 175.541 174.600 -0.398 0.000 1.203 502 S CA 0.115 58.139 58.200 -0.294 0.000 1.061 502 S CB 1.161 64.042 63.200 -0.531 0.000 1.152 502 S HN 0.936 nan 8.310 nan 0.000 0.495 503 A N 2.671 125.311 122.820 -0.300 0.000 2.016 503 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 503 A C 2.052 179.569 177.584 -0.112 0.000 1.162 503 A CA 1.251 53.147 52.037 -0.234 0.000 0.662 503 A CB -0.618 18.264 19.000 -0.197 0.000 0.812 503 A HN 0.708 nan 8.150 nan 0.000 0.450 504 G N -0.495 108.234 108.800 -0.118 0.000 2.395 504 G HA2 0.124 4.084 3.960 -0.000 0.000 0.214 504 G HA3 0.124 4.084 3.960 -0.000 0.000 0.214 504 G C 1.705 176.556 174.900 -0.082 0.000 1.177 504 G CA 1.043 46.101 45.100 -0.070 0.000 0.794 504 G HN 0.690 nan 8.290 nan 0.000 0.532 505 A N -0.071 122.637 122.820 -0.186 0.000 1.972 505 A HA 0.374 4.694 4.320 -0.000 0.000 0.219 505 A C 2.058 179.561 177.584 -0.136 0.000 1.169 505 A CA 1.838 53.746 52.037 -0.214 0.000 0.635 505 A CB -0.646 18.001 19.000 -0.587 0.000 0.810 505 A HN 1.745 nan 8.150 nan 0.000 0.446 506 G N -1.918 106.744 108.800 -0.229 0.000 2.164 506 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 506 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 506 G C -0.125 174.805 174.900 0.050 0.000 1.031 506 G CA 0.129 45.221 45.100 -0.013 0.000 0.730 506 G HN 1.523 nan 8.290 nan 0.000 0.501 507 F N -2.354 117.540 119.950 -0.094 0.000 2.645 507 F HA 0.809 5.336 4.527 -0.000 0.000 0.310 507 F C -0.400 175.279 175.800 -0.201 0.000 1.102 507 F CA -2.120 55.759 58.000 -0.201 0.000 0.952 507 F CB 1.136 39.863 39.000 -0.455 0.000 1.326 507 F HN 0.107 nan 8.300 nan 0.000 0.456 508 V N 2.550 122.519 119.914 0.092 0.000 2.509 508 V HA 0.474 4.594 4.120 -0.000 0.000 0.284 508 V C -0.284 175.775 176.094 -0.059 0.000 1.047 508 V CA -0.773 61.510 62.300 -0.029 0.000 0.952 508 V CB 1.409 33.214 31.823 -0.030 0.000 0.988 508 V HN 0.697 nan 8.190 nan 0.000 0.469 509 V N 4.546 124.277 119.914 -0.304 0.000 2.383 509 V HA 0.609 4.729 4.120 -0.000 0.000 0.275 509 V C 0.499 176.387 176.094 -0.345 0.000 1.036 509 V CA -0.485 61.547 62.300 -0.447 0.000 0.889 509 V CB 1.357 32.590 31.823 -0.983 0.000 0.985 509 V HN 0.964 nan 8.190 nan 0.000 0.459 510 A N 6.852 129.591 122.820 -0.135 0.000 2.252 510 A HA 0.778 5.098 4.320 -0.000 0.000 0.309 510 A C -0.562 177.041 177.584 0.031 0.000 1.285 510 A CA -0.400 51.632 52.037 -0.008 0.000 0.900 510 A CB 0.164 19.206 19.000 0.071 0.000 1.157 510 A HN 0.811 nan 8.150 nan 0.000 0.536 511 L N 1.981 123.236 121.223 0.054 0.000 2.325 511 L HA 0.491 4.831 4.340 -0.000 0.000 0.279 511 L C 0.268 177.182 176.870 0.073 0.000 1.054 511 L CA -0.166 54.725 54.840 0.085 0.000 0.804 511 L CB 1.978 44.114 42.059 0.128 0.000 1.200 511 L HN 0.599 nan 8.230 nan 0.000 0.436 512 S N 1.866 117.593 115.700 0.045 0.000 2.718 512 S HA 0.724 5.194 4.470 -0.000 0.000 0.294 512 S C 0.187 174.776 174.600 -0.018 0.000 1.157 512 S CA -0.196 57.987 58.200 -0.027 0.000 1.121 512 S CB 1.351 64.473 63.200 -0.130 0.000 1.015 512 S HN 1.065 nan 8.310 nan 0.000 0.479 513 G N 3.224 112.023 108.800 -0.002 0.000 2.760 513 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.246 513 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.246 513 G C -1.374 173.543 174.900 0.028 0.000 1.359 513 G CA -0.914 44.188 45.100 0.003 0.000 0.861 513 G HN 0.540 nan 8.290 nan 0.000 0.541 514 D N 0.290 120.704 120.400 0.023 0.000 2.350 514 D HA 0.464 5.103 4.640 -0.000 0.000 0.249 514 D C 0.582 176.911 176.300 0.048 0.000 1.119 514 D CA 0.192 54.215 54.000 0.039 0.000 0.886 514 D CB 0.964 41.780 40.800 0.026 0.000 1.195 514 D HN 0.357 nan 8.370 nan 0.000 0.437 515 I N 2.340 122.957 120.570 0.079 0.000 2.378 515 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 515 I C 0.395 176.581 176.117 0.116 0.000 0.992 515 I CA -0.746 60.619 61.300 0.110 0.000 1.154 515 I CB 1.155 39.255 38.000 0.167 0.000 1.315 515 I HN 0.149 nan 8.210 nan 0.000 0.448 516 N N 7.630 126.405 118.700 0.125 0.000 2.415 516 N HA 0.321 5.061 4.740 -0.000 0.000 0.250 516 N C -0.730 174.909 175.510 0.215 0.000 1.127 516 N CA 0.114 53.240 53.050 0.128 0.000 0.945 516 N CB 0.242 38.786 38.487 0.095 0.000 1.196 516 N HN 0.497 nan 8.380 nan 0.000 0.499 520 G N -0.005 108.806 108.800 0.019 0.000 2.531 520 G HA2 0.669 4.629 3.960 -0.000 0.000 0.313 520 G HA3 0.669 4.629 3.960 -0.000 0.000 0.313 520 G C -0.772 174.130 174.900 0.003 0.000 1.238 520 G CA -1.017 44.087 45.100 0.007 0.000 0.994 520 G HN 0.486 nan 8.290 nan 0.000 0.493 521 L N 1.507 122.728 121.223 -0.003 0.000 2.325 521 L HA 0.358 4.698 4.340 -0.000 0.000 0.279 521 L C -1.542 175.324 176.870 -0.006 0.000 1.054 521 L CA -1.578 53.259 54.840 -0.005 0.000 0.804 521 L CB 1.787 43.842 42.059 -0.007 0.000 1.200 521 L HN 0.378 nan 8.230 nan 0.000 0.436 522 P HA 0.085 nan 4.420 nan 0.000 0.274 522 P C 0.124 177.419 177.300 -0.007 0.000 1.256 522 P CA -0.614 62.482 63.100 -0.008 0.000 0.795 522 P CB 0.901 32.596 31.700 -0.009 0.000 1.038 523 K N 0.243 120.638 120.400 -0.008 0.000 2.103 523 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 523 K C 0.258 176.854 176.600 -0.007 0.000 1.048 523 K CA 1.281 57.563 56.287 -0.007 0.000 0.930 523 K CB 0.071 32.566 32.500 -0.007 0.000 0.716 523 K HN 0.223 nan 8.250 nan 0.000 0.444 524 K N 1.892 122.287 120.400 -0.007 0.000 2.540 524 K HA 0.289 4.609 4.320 -0.000 0.000 0.218 524 K C -2.656 173.940 176.600 -0.007 0.000 1.017 524 K CA -1.948 54.335 56.287 -0.006 0.000 1.029 524 K CB 1.539 34.035 32.500 -0.006 0.000 1.348 524 K HN 0.110 nan 8.250 nan 0.000 0.508 525 P HA 0.138 nan 4.420 nan 0.000 0.274 525 P C 0.665 177.962 177.300 -0.006 0.000 1.231 525 P CA -0.336 62.761 63.100 -0.007 0.000 0.790 525 P CB 0.867 32.563 31.700 -0.006 0.000 0.951 526 N N 1.853 120.548 118.700 -0.007 0.000 2.258 526 N HA -0.203 4.537 4.740 -0.000 0.000 0.187 526 N C 1.660 177.165 175.510 -0.007 0.000 1.012 526 N CA 1.665 54.711 53.050 -0.008 0.000 0.870 526 N CB -0.696 37.785 38.487 -0.010 0.000 0.977 526 N HN 0.449 nan 8.380 nan 0.000 0.434 527 A N 0.264 123.080 122.820 -0.006 0.000 2.032 527 A HA -0.125 4.194 4.320 -0.000 0.000 0.221 527 A C 2.179 179.762 177.584 -0.002 0.000 1.165 527 A CA 1.031 53.066 52.037 -0.004 0.000 0.645 527 A CB -0.739 18.259 19.000 -0.002 0.000 0.807 527 A HN 0.416 nan 8.150 nan 0.000 0.453 528 L N -0.423 120.798 121.223 -0.003 0.000 2.201 528 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 528 L C 0.860 177.730 176.870 -0.001 0.000 1.105 528 L CA 0.260 55.099 54.840 -0.002 0.000 0.775 528 L CB -0.540 41.517 42.059 -0.002 0.000 0.913 528 L HN 0.382 nan 8.230 nan 0.000 0.440 532 V N 2.682 122.605 119.914 0.014 0.000 2.350 532 V HA 0.318 4.438 4.120 -0.000 0.000 0.285 532 V C 0.030 176.132 176.094 0.014 0.000 1.014 532 V CA -0.803 61.508 62.300 0.017 0.000 0.831 532 V CB 1.040 32.877 31.823 0.023 0.000 1.000 532 V HN 0.565 nan 8.190 nan 0.000 0.433 533 D N 2.294 122.702 120.400 0.012 0.000 2.393 533 D HA -0.024 4.616 4.640 -0.000 0.000 0.246 533 D C 0.947 177.254 176.300 0.012 0.000 1.275 533 D CA -0.001 54.005 54.000 0.010 0.000 0.979 533 D CB 0.548 41.353 40.800 0.008 0.000 1.101 533 D HN 0.233 nan 8.370 nan 0.000 0.505 534 D N -1.787 118.619 120.400 0.010 0.000 2.263 534 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 534 D C 1.549 177.856 176.300 0.012 0.000 0.971 534 D CA 1.310 55.316 54.000 0.010 0.000 0.867 534 D CB -0.115 40.690 40.800 0.008 0.000 0.929 534 D HN 0.457 nan 8.370 nan 0.000 0.492 535 S N -1.388 114.320 115.700 0.012 0.000 2.575 535 S HA 0.378 4.848 4.470 -0.000 0.000 0.215 535 S C 1.788 176.399 174.600 0.018 0.000 0.966 535 S CA 0.380 58.588 58.200 0.014 0.000 0.911 535 S CB 0.901 64.109 63.200 0.012 0.000 0.780 535 S HN 0.596 nan 8.310 nan 0.000 0.514 536 G N 2.098 110.910 108.800 0.019 0.000 2.147 536 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 536 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 536 G C -0.377 174.538 174.900 0.026 0.000 1.005 536 G CA -0.294 44.820 45.100 0.024 0.000 0.713 536 G HN 0.567 nan 8.290 nan 0.000 0.515 537 N N -0.465 118.247 118.700 0.021 0.000 2.473 537 N HA 0.600 5.340 4.740 -0.000 0.000 0.291 537 N C 0.401 175.921 175.510 0.016 0.000 1.083 537 N CA -0.764 52.297 53.050 0.019 0.000 0.951 537 N CB 1.345 39.839 38.487 0.012 0.000 1.164 537 N HN 0.232 nan 8.380 nan 0.000 0.480 538 I N 2.143 122.724 120.570 0.017 0.000 2.556 538 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 538 I C 0.172 176.292 176.117 0.004 0.000 1.114 538 I CA -0.292 61.016 61.300 0.012 0.000 1.418 538 I CB 0.247 38.255 38.000 0.013 0.000 1.394 538 I HN 0.263 nan 8.210 nan 0.000 0.552 539 V N 2.278 122.193 119.914 0.003 0.000 3.001 539 V HA 0.935 5.055 4.120 -0.000 0.000 0.314 539 V C 0.533 176.625 176.094 -0.003 0.000 1.099 539 V CA 0.043 62.342 62.300 -0.001 0.000 0.989 539 V CB 1.338 33.161 31.823 0.000 0.000 1.040 539 V HN 1.007 nan 8.190 nan 0.000 0.434 540 G N 1.251 110.048 108.800 -0.005 0.000 2.195 540 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 540 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 540 G C 0.430 175.324 174.900 -0.009 0.000 0.984 540 G CA 0.527 45.624 45.100 -0.005 0.000 0.633 540 G HN 1.253 nan 8.290 nan 0.000 0.525 541 V N 0.673 120.580 119.914 -0.013 0.000 2.302 541 V HA 0.137 4.257 4.120 -0.000 0.000 0.243 541 V C 1.858 177.939 176.094 -0.022 0.000 1.036 541 V CA 2.327 64.615 62.300 -0.021 0.000 1.020 541 V CB -0.053 31.753 31.823 -0.027 0.000 0.657 541 V HN 0.481 nan 8.190 nan 0.000 0.453 542 S N 0.000 115.687 115.700 -0.021 0.000 2.498 542 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 542 S CA 0.000 58.188 58.200 -0.021 0.000 1.107 542 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 542 S HN 0.000 nan 8.310 nan 0.000 0.517